LMucko/crystallography-open-database huggingface dataset:
New Resolution of 2-Formyl-1,4-DHP Derivatives Using CIDR Methodology. Facile Access to New Chiral Tricyclic Thiolactam
Štefan Marchalín; Katarína Cvopová; Miroslav Križ; Peter Baran; Hassan Oulyadi; Adam Daïch; Journal of Organic Chemistry 69 (2004) 4227–4237; doi:10.1021/jo049706s

data_4021300
_publ_section_title
;
 New Resolution of 2-Formyl-1,4-DHP Derivatives Using CIDR Methodology.
 Facile Access to New Chiral Tricyclic Thiolactam
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4227
_journal_page_last               4237
_journal_paper_doi               10.1021/jo049706s
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C22 H28 N2 O6 S2'
_chemical_formula_weight         480.58
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 102.142(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.444(4)
_cell_length_b                   8.678(3)
_cell_length_c                   15.389(6)
_cell_measurement_temperature    298(2)
_cell_volume                     1233.0(8)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.294
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4021300
Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.
Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang; Journal of Organic Chemistry 69 (2004) 4500–4508; doi:10.1021/jo049716t

data_4021301
_publ_section_title
;
 Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates.
 Application to the Synthesis of 2(1H)-Pyridones,
 Benzofuro[3,2-c]pyridin-1(2H)-ones,
 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4500
_journal_page_last               4508
_journal_paper_doi               10.1021/jo049716t
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C15 H10 Cl N O'
_chemical_formula_weight         255.69
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 93.796(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.1366(12)
_cell_length_b                   6.9872(7)
_cell_length_c                   15.3869(16)
_cell_measurement_temperature    295(2)
_cell_volume                     1194.7(2)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.422
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4021301
Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.
Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang; Journal of Organic Chemistry 69 (2004) 4500–4508; doi:10.1021/jo049716t

data_4021302
_publ_section_title
;
 Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates.
 Application to the Synthesis of 2(1H)-Pyridones,
 Benzofuro[3,2-c]pyridin-1(2H)-ones,
 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4500
_journal_page_last               4508
_journal_paper_doi               10.1021/jo049716t
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C17 H13 N O'
_chemical_formula_weight         247.28
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 102.417(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.780(3)
_cell_length_b                   14.555(4)
_cell_length_c                   8.028(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1230.1(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.335
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4021302
Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.
Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang; Journal of Organic Chemistry 69 (2004) 4500–4508; doi:10.1021/jo049716t

data_4021303
_publ_section_title
;
 Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates.
 Application to the Synthesis of 2(1H)-Pyridones,
 Benzofuro[3,2-c]pyridin-1(2H)-ones,
 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4500
_journal_page_last               4508
_journal_paper_doi               10.1021/jo049716t
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C16 H12 N2 O'
_chemical_formula_weight         248.28
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.489(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.6162(6)
_cell_length_b                   8.2161(8)
_cell_length_c                   21.597(2)
_cell_measurement_temperature    295(2)
_cell_volume                     1173.59(19)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.405
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4021303
Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.
Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang; Journal of Organic Chemistry 69 (2004) 4500–4508; doi:10.1021/jo049716t

data_4021304
_publ_section_title
;
 Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates.
 Application to the Synthesis of 2(1H)-Pyridones,
 Benzofuro[3,2-c]pyridin-1(2H)-ones,
 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4500
_journal_page_last               4508
_journal_paper_doi               10.1021/jo049716t
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C12 H15 N O2'
_chemical_formula_weight         205.25
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 96.223(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.3047(18)
_cell_length_b                   6.3689(9)
_cell_length_c                   13.238(2)
_cell_measurement_temperature    223(2)
_cell_volume                     1031.3(3)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.322
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4021304
Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.
Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang; Journal of Organic Chemistry 69 (2004) 4500–4508; doi:10.1021/jo049716t

data_4021305
_publ_section_title
;
 Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates.
 Application to the Synthesis of 2(1H)-Pyridones,
 Benzofuro[3,2-c]pyridin-1(2H)-ones,
 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4500
_journal_page_last               4508
_journal_paper_doi               10.1021/jo049716t
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C16 H15 N O'
_chemical_formula_weight         237.29
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                76.48(2)
_cell_angle_beta                 79.630(10)
_cell_angle_gamma                62.65(2)
_cell_formula_units_Z            4
_cell_length_a                   10.803(2)
_cell_length_b                   11.090(2)
_cell_length_c                   11.7230(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1208.6(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.304
_refine_ls_R_factor_obs          0.0702
_refine_ls_wR_factor_obs         0.1436
_cod_database_code               4021305
Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.
Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang; Journal of Organic Chemistry 69 (2004) 4500–4508; doi:10.1021/jo049716t

data_4021306
_publ_section_title
;
 Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates.
 Application to the Synthesis of 2(1H)-Pyridones,
 Benzofuro[3,2-c]pyridin-1(2H)-ones,
 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4500
_journal_page_last               4508
_journal_paper_doi               10.1021/jo049716t
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C15 H13 N O'
_chemical_formula_weight         223.26
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   13.6695(8)
_cell_length_b                   14.6107(9)
_cell_length_c                   22.7212(14)
_cell_measurement_temperature    295(2)
_cell_volume                     4537.9(5)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.307
_cod_database_code               4021306
Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.
Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang; Journal of Organic Chemistry 69 (2004) 4500–4508; doi:10.1021/jo049716t

data_4021307
_publ_section_title
;
 Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates.
 Application to the Synthesis of 2(1H)-Pyridones,
 Benzofuro[3,2-c]pyridin-1(2H)-ones,
 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4500
_journal_page_last               4508
_journal_paper_doi               10.1021/jo049716t
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C14 H11 N O2'
_chemical_formula_weight         225.24
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                76.442(2)
_cell_angle_beta                 87.201(2)
_cell_angle_gamma                82.199(2)
_cell_formula_units_Z            2
_cell_length_a                   5.4105(6)
_cell_length_b                   9.3372(11)
_cell_length_c                   10.7931(13)
_cell_measurement_temperature    295(2)
_cell_volume                     525.07(11)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.425
_cod_database_code               4021307
Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.
Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang; Journal of Organic Chemistry 69 (2004) 4500–4508; doi:10.1021/jo049716t

data_4021308
_publ_section_title
;
 Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates.
 Application to the Synthesis of 2(1H)-Pyridones,
 Benzofuro[3,2-c]pyridin-1(2H)-ones,
 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4500
_journal_page_last               4508
_journal_paper_doi               10.1021/jo049716t
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C16 H16 N2 O'
_chemical_formula_weight         252.31
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 111.760(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.122(3)
_cell_length_b                   7.3980(10)
_cell_length_c                   20.076(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2499.7(6)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.341
_refine_ls_R_factor_obs          0.0621
_refine_ls_wR_factor_obs         0.1312
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4021308
Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.
Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang; Journal of Organic Chemistry 69 (2004) 4500–4508; doi:10.1021/jo049716t

data_4021309
_publ_section_title
;
 Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates.
 Application to the Synthesis of 2(1H)-Pyridones,
 Benzofuro[3,2-c]pyridin-1(2H)-ones,
 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4500
_journal_page_last               4508
_journal_paper_doi               10.1021/jo049716t
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C16 H16 N2 O'
_chemical_formula_weight         252.31
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                113.440(10)
_cell_angle_beta                 105.85(2)
_cell_angle_gamma                99.42(2)
_cell_formula_units_Z            2
_cell_length_a                   7.4460(10)
_cell_length_b                   9.579(2)
_cell_length_c                   10.5460(10)
_cell_measurement_temperature    293(2)
_cell_volume                     631.5(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.327
_refine_ls_R_factor_obs          0.0451
_refine_ls_wR_factor_obs         0.1082
_cod_database_code               4021309
Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.
Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang; Journal of Organic Chemistry 69 (2004) 4500–4508; doi:10.1021/jo049716t

data_4021310
_publ_section_title
;
 Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates.
 Application to the Synthesis of 2(1H)-Pyridones,
 Benzofuro[3,2-c]pyridin-1(2H)-ones,
 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4500
_journal_page_last               4508
_journal_paper_doi               10.1021/jo049716t
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C15 H14 N2 O'
_chemical_formula_weight         238.28
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 96.005(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.9287(7)
_cell_length_b                   7.6930(7)
_cell_length_c                   19.2741(18)
_cell_measurement_temperature    295(2)
_cell_volume                     1169.18(18)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.354
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4021310
Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates. Application to the Synthesis of 2(1H)-Pyridones, Benzofuro[3,2-c]pyridin-1(2H)-ones, 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.
Hongbin Li; Hua Yang; Jeffrey L. Petersen; Kung K. Wang; Journal of Organic Chemistry 69 (2004) 4500–4508; doi:10.1021/jo049716t

data_4021311
_publ_section_title
;
 Biradicals/Zwitterions from Thermolysis of Enyne-Isocyanates.
 Application to the Synthesis of 2(1H)-Pyridones,
 Benzofuro[3,2-c]pyridin-1(2H)-ones,
 2,5-Dihydro-1H-pyrido[4,3-b]indol-1-ones, and Related Compounds.
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4500
_journal_page_last               4508
_journal_paper_doi               10.1021/jo049716t
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C16 H15 N O2'
_chemical_formula_weight         253.29
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.2280(10)
_cell_length_b                   13.9240(10)
_cell_length_c                   14.838(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2526.4(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.332
_refine_ls_R_factor_obs          0.0555
_refine_ls_wR_factor_obs         0.1030
_cod_database_code               4021311
Stereoselectivity and Regioselectivity in Nucleophilic Ring Opening in Derivatives of 3-Phenylisoxazolo[2,3-a]pyrimidine. Unpredicted Dimerization and Ring Transformation. Syntheses of Derivatives of Pyrimidinylmethylamine, Pyrimidinylmethylamino Acid Amides, and α-Amino-2-pyrimidinylacetamides
Gury Zvilichovsky; Isra Gbara-Haj-Yahia; Journal of Organic Chemistry 69 (2004) 4966–4973; doi:10.1021/jo0497196

data_4021312
_publ_section_title
;
 Stereoselectivity and Regioselectivity in Nucleophilic Ring
 Opening in Derivatives of 3-Phenylisoxazolo[2,3-a]pyrimidine.
 Unpredicted Dimerization and Ring Transformation.
 Syntheses of Derivatives of Pyrimidinylmethylamine,
 Pyrimidinylmethylamino Acid Amides, and
 \a-Amino-2-pyrimidinylacetamides
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4966
_journal_page_last               4973
_journal_paper_doi               10.1021/jo0497196
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C16 H15 N3 O2'
_chemical_formula_weight         281.31
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.259(5)
_cell_angle_beta                 113.660(4)
_cell_angle_gamma                99.146(5)
_cell_formula_units_Z            2
_cell_length_a                   8.730(2)
_cell_length_b                   8.983(3)
_cell_length_c                   9.277(3)
_cell_measurement_temperature    123(2)
_cell_volume                     655.0(3)
_diffrn_ambient_temperature      123(2)
_exptl_crystal_density_diffrn    1.426
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4021312
Stereoselectivity and Regioselectivity in Nucleophilic Ring Opening in Derivatives of 3-Phenylisoxazolo[2,3-a]pyrimidine. Unpredicted Dimerization and Ring Transformation. Syntheses of Derivatives of Pyrimidinylmethylamine, Pyrimidinylmethylamino Acid Amides, and α-Amino-2-pyrimidinylacetamides
Gury Zvilichovsky; Isra Gbara-Haj-Yahia; Journal of Organic Chemistry 69 (2004) 4966–4973; doi:10.1021/jo0497196

data_4021313
_publ_section_title
;
 Stereoselectivity and Regioselectivity in Nucleophilic Ring
 Opening in Derivatives of 3-Phenylisoxazolo[2,3-a]pyrimidine.
 Unpredicted Dimerization and Ring Transformation.
 Syntheses of Derivatives of Pyrimidinylmethylamine,
 Pyrimidinylmethylamino Acid Amides, and
 \a-Amino-2-pyrimidinylacetamides
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4966
_journal_page_last               4973
_journal_paper_doi               10.1021/jo0497196
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C14 H15 N3 O2'
_chemical_formula_weight         257.29
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 95.938(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.728(2)
_cell_length_b                   7.7333(15)
_cell_length_c                   16.453(3)
_cell_measurement_temperature    200(1)
_cell_volume                     1357.7(5)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.259
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4021313