LMucko/crystallography-open-database huggingface dataset:
Synthesis of Enantiopure 4-Hydroxypipecolate and 4-Hydroxylysine Derivatives from a Common 4,6-Dioxopiperidinecarboxylate Precursor
J. Marin; C. Didierjean; A. Aubry; J.-R. Casimir; J.-P. Briand; G. Guichard; Journal of Organic Chemistry 69 (2004) 130–141; doi:10.1021/jo0353886

data_4020805
_publ_section_title
;
 Synthesis of Enantiopure 4-Hydroxypipecolate and 4-Hydroxylysine
 Derivatives from a Common 4,6-Dioxopiperidinecarboxylate Precursor
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              130
_journal_page_last               141
_journal_paper_doi               10.1021/jo0353886
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C15 H23 N O6'
_chemical_formula_weight         313.34
_chemical_name_common
;
enol form of 4,6-dioxopipridine 4a
;
_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                 98.870(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.1880(5)
_cell_length_b                   9.6290(8)
_cell_length_c                   14.7320(12)
_cell_measurement_temperature    293(2)
_cell_volume                     867.30(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.200
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4020805
Synthesis of Enantiopure 4-Hydroxypipecolate and 4-Hydroxylysine Derivatives from a Common 4,6-Dioxopiperidinecarboxylate Precursor
J. Marin; C. Didierjean; A. Aubry; J.-R. Casimir; J.-P. Briand; G. Guichard; Journal of Organic Chemistry 69 (2004) 130–141; doi:10.1021/jo0353886

data_4020806
_publ_section_title
;
 Synthesis of Enantiopure 4-Hydroxypipecolate and 4-Hydroxylysine
 Derivatives from a Common 4,6-Dioxopiperidinecarboxylate Precursor
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              130
_journal_page_last               141
_journal_paper_doi               10.1021/jo0353886
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C22 H30 N2 O8'
_chemical_formula_weight         450.48
_chemical_name_common
;
trans-4-hydroxy-pipecolate derivative
;
_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            4
_cell_length_a                   6.2400(2)
_cell_length_b                   13.5460(4)
_cell_length_c                   29.7090(9)
_cell_measurement_temperature    293(2)
_cell_volume                     2511.21(13)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.192
_cod_database_code               4020806
Synthesis of Enantiopure 4-Hydroxypipecolate and 4-Hydroxylysine Derivatives from a Common 4,6-Dioxopiperidinecarboxylate Precursor
J. Marin; C. Didierjean; A. Aubry; J.-R. Casimir; J.-P. Briand; G. Guichard; Journal of Organic Chemistry 69 (2004) 130–141; doi:10.1021/jo0353886

data_4020807
_publ_section_title
;
 Synthesis of Enantiopure 4-Hydroxypipecolate and 4-Hydroxylysine
 Derivatives from a Common 4,6-Dioxopiperidinecarboxylate Precursor
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              130
_journal_page_last               141
_journal_paper_doi               10.1021/jo0353886
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C15 H25 N1 O4'
_chemical_formula_sum            'C15 H25 N O4'
_chemical_formula_weight         283.36
_chemical_name_common
;
pipecolate derivative
;
_space_group_IT_number           144
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 31'
_symmetry_space_group_name_H-M   'P 31'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   9.8807(4)
_cell_length_b                   9.8807(4)
_cell_length_c                   14.9490(10)
_cell_measurement_temperature    293(2)
_cell_volume                     1263.92(11)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.117
_cod_database_code               4020807
Design and Synthesis of New Macrocyclic Cyclophanes Using 1,3-Dioxane Units as Bridges: A Molecular "Rocking Chair"
Mirela Balog; Ion Grosu; Gérard Plé; Yvan Ramondenc; Eric Condamine; Richard A. Varga; Journal of Organic Chemistry 69 (2004) 1337–1345; doi:10.1021/jo0353987

data_4020808
_publ_section_title
;
 Design and Synthesis of New Macrocyclic Cyclophanes
 Using 1,3-Dioxane Units as Bridges: A Molecular "Rocking Chair"
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1337
_journal_page_last               1345
_journal_paper_doi               10.1021/jo0353987
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C28 H32 O8'
_chemical_formula_sum            'C28 H32 O8'
_chemical_formula_weight         496.54
_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                 100.497(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.067(3)
_cell_length_b                   5.9507(8)
_cell_length_c                   33.816(5)
_cell_measurement_temperature    297(2)
_cell_volume                     4959.9(12)
_diffrn_ambient_temperature      297(2)
_exptl_crystal_density_diffrn    1.330
_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      'C 2/c'
_cod_database_code               4020808
Design and Synthesis of New Macrocyclic Cyclophanes Using 1,3-Dioxane Units as Bridges: A Molecular "Rocking Chair"
Mirela Balog; Ion Grosu; Gérard Plé; Yvan Ramondenc; Eric Condamine; Richard A. Varga; Journal of Organic Chemistry 69 (2004) 1337–1345; doi:10.1021/jo0353987

data_4020809
_publ_section_title
;
 Design and Synthesis of New Macrocyclic Cyclophanes
 Using 1,3-Dioxane Units as Bridges: A Molecular "Rocking Chair"
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1337
_journal_page_last               1345
_journal_paper_doi               10.1021/jo0353987
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C29 H33 Cl3 O8'
_chemical_formula_weight         615.90
_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                93.024(6)
_cell_angle_beta                 102.766(6)
_cell_angle_gamma                99.552(6)
_cell_formula_units_Z            2
_cell_length_a                   10.205(3)
_cell_length_b                   11.005(4)
_cell_length_c                   14.124(5)
_cell_measurement_temperature    297(2)
_cell_volume                     1519.0(8)
_diffrn_ambient_temperature      297(2)
_exptl_crystal_density_diffrn    1.347
_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               4020809
Design and Synthesis of New Macrocyclic Cyclophanes Using 1,3-Dioxane Units as Bridges: A Molecular "Rocking Chair"
Mirela Balog; Ion Grosu; Gérard Plé; Yvan Ramondenc; Eric Condamine; Richard A. Varga; Journal of Organic Chemistry 69 (2004) 1337–1345; doi:10.1021/jo0353987

data_4020810
_publ_section_title
;
 Design and Synthesis of New Macrocyclic Cyclophanes
 Using 1,3-Dioxane Units as Bridges: A Molecular "Rocking Chair"
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1337
_journal_page_last               1345
_journal_paper_doi               10.1021/jo0353987
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C28 H32 O8'
_chemical_formula_weight         496.54
_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                 94.762(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.525(4)
_cell_length_b                   12.933(5)
_cell_length_c                   17.095(6)
_cell_measurement_temperature    297(2)
_cell_volume                     2539.3(15)
_diffrn_ambient_temperature      297(2)
_exptl_crystal_density_diffrn    1.299
_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/n'
_cod_database_code               4020810
Synthesis of γ,δ-Unsaturated and γ,ε-Unsaturated α-Amino Acids from Fragmentation of γ- and δ-Lactones
James E. Tarver, Jr.; Madeleine M. Joullié; Journal of Organic Chemistry 69 (2004) 815–820; doi:10.1021/jo035401m

data_4020811
_publ_section_title
;
 Synthesis of \g,\d-Unsaturated and \g,\e-Unsaturated
 \a-Amino Acids from Fragmentation of \g- and \d-Lactones
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              815
_journal_page_last               820
_journal_paper_doi               10.1021/jo035401m
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C13 H23 N O5'
_chemical_formula_weight         273.32
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                100.278(3)
_cell_angle_beta                 102.391(4)
_cell_angle_gamma                99.080(4)
_cell_formula_units_Z            2
_cell_length_a                   6.3899(16)
_cell_length_b                   9.466(2)
_cell_length_c                   13.630(4)
_cell_measurement_temperature    143(1)
_cell_volume                     775.6(3)
_diffrn_ambient_temperature      143(1)
_exptl_crystal_density_diffrn    1.170
_cod_database_code               4020811
Conformational Studies by Dynamic NMR. 97. Structure, Conformation, Stereodynamics and Enantioseparation of Aryl Substituted Norbornanes
Daniele Casarini; Stefano Grilli; Lodovico Lunazzi; Andrea Mazzanti; Journal of Organic Chemistry 69 (2004) 345–351; doi:10.1021/jo035411n

data_4020812
_publ_section_title
;
 Conformational Studies by Dynamic NMR. 97.
 Structure, Conformation, Stereodynamics and Enantioseparation
 of Aryl Substituted Norbornanes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              345
_journal_page_last               351
_journal_paper_doi               10.1021/jo035411n
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C27 H28 O2'
_chemical_formula_weight         384.49
_chemical_melting_point          162
_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                 102.3720(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.8067(8)
_cell_length_b                   7.4743(5)
_cell_length_c                   22.3194(14)
_cell_measurement_temperature    293(2)
_cell_volume                     2086.8(2)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.224
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4020812
Simple Synthesis of a Weak Nucleophilic Base (4-Ethyl-2,6-diisopropyl-3,5-dimethylpyridine) Evidencing a Double Janus Group Effect
Alexandru T. Balaban; Ion Ghiviriga; Edmund W. Czerwinski; Priyadarsi De; Rudolf Faust; Journal of Organic Chemistry 69 (2004) 536–542; doi:10.1021/jo035416k

data_4020813
_publ_section_title
;
 Simple Synthesis of a Weak Nucleophilic Base
 (4-Ethyl-2,6-diisopropyl-3,5-dimethylpyridine)
 Evidencing a Double Janus Group Effect
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              536
_journal_page_last               542
_journal_paper_doi               10.1021/jo035416k
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C21 H28 N4 O7'
_chemical_formula_sum            'C21 H28 N4 O7'
_chemical_formula_weight         448.47
_space_group_IT_number           33
_space_group_name_Hall           'P -2n -2ac'
_space_group_name_H-M_alt        'P c 21 n'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P -2n -2ac'
_symmetry_space_group_name_H-M   'P c 21 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.9690(10)
_cell_length_b                   12.185(2)
_cell_length_c                   20.729(4)
_cell_measurement_temperature    100(2)
_cell_measurement_wavelength     1.5418
_cell_volume                     2265.4(6)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.315
_cod_database_code               4020813
Simple Synthesis of a Weak Nucleophilic Base (4-Ethyl-2,6-diisopropyl-3,5-dimethylpyridine) Evidencing a Double Janus Group Effect
Alexandru T. Balaban; Ion Ghiviriga; Edmund W. Czerwinski; Priyadarsi De; Rudolf Faust; Journal of Organic Chemistry 69 (2004) 536–542; doi:10.1021/jo035416k

data_4020814
_publ_section_title
;
 Simple Synthesis of a Weak Nucleophilic Base
 (4-Ethyl-2,6-diisopropyl-3,5-dimethylpyridine)
 Evidencing a Double Janus Group Effect
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              536
_journal_page_last               542
_journal_paper_doi               10.1021/jo035416k
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C15 H25 F6 O P'
_chemical_formula_sum            'C15 H25 F6 O P'
_chemical_formula_weight         366.32
_space_group_IT_number           33
_space_group_name_Hall           'P -2n -2ac'
_space_group_name_H-M_alt        'P c 21 n'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P -2n -2ac'
_symmetry_space_group_name_H-M   'P c 21 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.3587(2)
_cell_length_b                   13.4737(3)
_cell_length_c                   15.2534(4)
_cell_measurement_temperature    100(2)
_cell_measurement_wavelength     1.5418
_cell_volume                     1717.88(7)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.416
_cod_database_code               4020814
Simple Synthesis of a Weak Nucleophilic Base (4-Ethyl-2,6-diisopropyl-3,5-dimethylpyridine) Evidencing a Double Janus Group Effect
Alexandru T. Balaban; Ion Ghiviriga; Edmund W. Czerwinski; Priyadarsi De; Rudolf Faust; Journal of Organic Chemistry 69 (2004) 536–542; doi:10.1021/jo035416k

data_4020815
_publ_section_title
;
 Simple Synthesis of a Weak Nucleophilic Base
 (4-Ethyl-2,6-diisopropyl-3,5-dimethylpyridine)
 Evidencing a Double Janus Group Effect
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              536
_journal_page_last               542
_journal_paper_doi               10.1021/jo035416k
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C15 H25 F6 O P'
_chemical_formula_sum            'C15 H25 F6 O P'
_chemical_formula_weight         366.32
_space_group_IT_number           33
_space_group_name_Hall           'P -2n -2ac'
_space_group_name_H-M_alt        'P c 21 n'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P -2n -2ac'
_symmetry_space_group_name_H-M   'P c 21 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.3587(2)
_cell_length_b                   13.4737(3)
_cell_length_c                   15.2534(4)
_cell_measurement_temperature    100(2)
_cell_measurement_wavelength     1.5418
_cell_volume                     1717.88(7)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.416
_cod_duplicate_entry             4020814
_cod_database_code               4020815
Diels-Alder Reactions of 4-Triflyloxy-2,6,6-trimethyl-2,4-cyclohexadienone. An Expedient Methodology for the Synthesis of Bicyclo[2.2.2]oct-5-en-2-ones and Bicyclo[2.2.2]octa-5,7-dien-2-ones
Yu-Shiang Lin; Shi-Yi Chang; Ming-Shyong Yang; Chitneni Prasad Rao; Rama Krishna Peddinti; Yow-Fu Tsai; Chun-Chen Liao; Journal of Organic Chemistry 69 (2004) 447–458; doi:10.1021/jo035429y

data_4020816
_publ_section_title
;
 Diels-Alder Reactions of
 4-Triflyloxy-2,6,6-trimethyl-2,4-cyclohexadienone.
 An Expedient Methodology for the Synthesis of
 Bicyclo[2.2.2]oct-5-en-2-ones and
 Bicyclo[2.2.2]octa-5,7-dien-2-ones
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              447
_journal_page_last               458
_journal_paper_doi               10.1021/jo035429y
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C18 H19 F3 O4 S'
_chemical_formula_weight         388.39
_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                 109.82(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.517(4)
_cell_length_b                   7.416(2)
_cell_length_c                   24.716(5)
_cell_measurement_temperature    295(2)
_cell_volume                     3710.4(13)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.391
_refine_ls_R_factor_obs          0.0837
_refine_ls_wR_factor_obs         0.2795
_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      'C 2/c'
_cod_database_code               4020816
An Efficient and Highly Stereocontrolled Route to Bulgecinine hydrochloride.
Juhienah K. Khalaf; Apurba Datta; Journal of Organic Chemistry 69 (2004) 387–390; doi:10.1021/jo035441q

data_4020817
_publ_section_title
;
 An Efficient and Highly Stereocontrolled Route to
 Bulgecinine hydrochloride.
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              387
_journal_page_last               390
_journal_paper_doi               10.1021/jo035441q
_journal_volume                  69
_journal_year                    2004
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C18 H23 N O6'
_chemical_formula_sum            'C18 H23 N O6'
_chemical_formula_weight         349.37
_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            4
_cell_length_a                   5.585(2)
_cell_length_b                   15.254(6)
_cell_length_c                   21.048(8)
_cell_measurement_temperature    100(2)
_cell_volume                     1793.2(12)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.294
_cod_database_code               4020817
Palladium-Indium Iodide-Mediated Allylation and Propargylation of Glyoxylic Oxime Ether and Hydrazone: The Role of Water in Directing the Diastereoselective Allylation
Hideto Miyabe; Yousuke Yamaoka; Takeaki Naito; Yoshiji Takemoto; Journal of Organic Chemistry 69 (2004) 1415–1418; doi:10.1021/jo035442i

data_4020818
_publ_section_title
;
 Palladium-Indium Iodide-Mediated Allylation and
 Propargylation of Glyoxylic Oxime Ether and Hydrazone:
 The Role of Water in Directing the Diastereoselective Allylation
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              1415
_journal_page_last               1418
_journal_paper_doi               10.1021/jo035442i
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C23 H30 N2 O4 S'
_chemical_formula_weight         430.55
_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            4
_cell_length_a                   15.952(2)
_cell_length_b                   18.974(1)
_cell_length_c                   7.667(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2320.8(7)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.232
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'ORTHORHOMBIC' changed to 'orthorhombic'
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               4020818