LMucko/crystallography-open-database huggingface dataset:
Effect of Remote Trigonal Carbons on the Kinetics of Bergman Cyclization: Synthesis and Chemical Reactivity of Pyridazinedione-Based Enediynes
Amit Basak; Subhendu Sekhar Bag; Pooja Anjali Majumder; Amit Kumar Das; Valerio Bertolasi; Journal of Organic Chemistry 69 (2004) 6927–6930; doi:10.1021/jo049396d

data_4021231
_publ_section_title
;
 Effect of Remote Trigonal Carbons on the Kinetics of
 Bergman Cyclization: Synthesis and Chemical Reactivity
 of Pyridazinedione-Based Enediynes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6927
_journal_page_last               6930
_journal_paper_doi               10.1021/jo049396d
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C16 H12 N2 O2'
_chemical_formula_weight         264.28
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 120.1860(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.6042(6)
_cell_length_b                   8.7485(4)
_cell_length_c                   11.0256(5)
_cell_measurement_temperature    293(2)
_cell_volume                     1301.04(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.349
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               4021231
Effect of Remote Trigonal Carbons on the Kinetics of Bergman Cyclization: Synthesis and Chemical Reactivity of Pyridazinedione-Based Enediynes
Amit Basak; Subhendu Sekhar Bag; Pooja Anjali Majumder; Amit Kumar Das; Valerio Bertolasi; Journal of Organic Chemistry 69 (2004) 6927–6930; doi:10.1021/jo049396d

data_4021232
_publ_section_title
;
 Effect of Remote Trigonal Carbons on the Kinetics of
 Bergman Cyclization: Synthesis and Chemical Reactivity
 of Pyridazinedione-Based Enediynes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6927
_journal_page_last               6930
_journal_paper_doi               10.1021/jo049396d
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C10 H8 N2 O2'
_chemical_formula_weight         188.18
_space_group_IT_number           56
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.4551(3)
_cell_length_b                   16.5721(5)
_cell_length_c                   8.0504(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1928.48(12)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.296
_cod_database_code               4021232
Stereoselective Synthesis of Optically Active Disilanes and Selective Functionalization by the Cleavage of Silicon-Naphthyl Bonds with Bromine
Keigo Suzuki; Yusuke Kawakami; Devadasan Velmurugan; Takashi Yamane; Journal of Organic Chemistry 69 (2004) 5383–5389; doi:10.1021/jo049398y

data_4021233
_publ_section_title
;
 Stereoselective Synthesis of Optically Active Disilanes
 and Selective Functionalization by the Cleavage
 of Silicon-Naphthyl Bonds with Bromine
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5383
_journal_page_last               5389
_journal_paper_doi               10.1021/jo049398y
_journal_volume                  69
_journal_year                    2004
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'
_chemical_formula_moiety         'C30 H28 Si2 '
_chemical_formula_sum            'C30 H28 Si2'
_chemical_formula_weight         444.72
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.015(2)
_cell_length_b                   14.070(2)
_cell_length_c                   17.975(3)
_cell_measurement_temperature    296.1
_cell_volume                     2532.8(7)
_exptl_crystal_density_diffrn    1.166
_cod_database_code               4021233
Highly Nonplanar, Electron Deficient, N-Substituted tetra-Oxocyclohexadienylidene Porphyrinogens: Structural, Computational, and Electrochemical Investigations
Jonathan P. Hill; Ian J. Hewitt; Christopher E. Anson; Annie K. Powell; Amy Lea McCarty; Paul A. Karr; Melvin E. Zandler; Francis D'Souza; Journal of Organic Chemistry 69 (2004) 5861–5869; doi:10.1021/jo049401d

data_4021234
_publ_section_title
;
 Highly Nonplanar, Electron Deficient, N-Substituted
 tetra-Oxocyclohexadienylidene Porphyrinogens:
 Structural, Computational, and Electrochemical Investigations
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5861
_journal_page_last               5869
_journal_paper_doi               10.1021/jo049401d
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C100.5 H117 N4 O4.5'
_chemical_formula_weight         1452.98
_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                 116.592(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.275(2)
_cell_length_b                   18.330(2)
_cell_length_c                   22.8247(18)
_cell_measurement_temperature    200(2)
_cell_volume                     8707.8(14)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.108
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C100.50 H117 N4 O4.50'
_cod_database_code               4021234
Highly Nonplanar, Electron Deficient, N-Substituted tetra-Oxocyclohexadienylidene Porphyrinogens: Structural, Computational, and Electrochemical Investigations
Jonathan P. Hill; Ian J. Hewitt; Christopher E. Anson; Annie K. Powell; Amy Lea McCarty; Paul A. Karr; Melvin E. Zandler; Francis D'Souza; Journal of Organic Chemistry 69 (2004) 5861–5869; doi:10.1021/jo049401d

data_4021235
_publ_section_title
;
 Highly Nonplanar, Electron Deficient, N-Substituted
 tetra-Oxocyclohexadienylidene Porphyrinogens:
 Structural, Computational, and Electrochemical Investigations
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5861
_journal_page_last               5869
_journal_paper_doi               10.1021/jo049401d
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C110 H130 N4 O4'
_chemical_formula_weight         1572.18
_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                 118.169(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.669(7)
_cell_length_b                   20.100(6)
_cell_length_c                   23.474(7)
_cell_measurement_temperature    220(2)
_cell_volume                     9429(5)
_diffrn_ambient_temperature      220(2)
_exptl_crystal_density_diffrn    1.108
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4021235
A Highly Stereoselective Synthesis of Optically Active Trisubstituted 1,2-Ethylenediamines: The First Example of Grignard Addition to N-Diphenylphosphinoyl Ketimines Derived from Amino Acids
Yoshinori Kohmura; Toshiaki Mase; Journal of Organic Chemistry 69 (2004) 6329–6334; doi:10.1021/jo049405i

data_4021236
_publ_section_title
;
 A Highly Stereoselective Synthesis of Optically Active
 Trisubstituted 1,2-Ethylenediamines: The First Example
 of Grignard Addition to N-Diphenylphosphinoyl Ketimines
 Derived from Amino Acids
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6329
_journal_page_last               6334
_journal_paper_doi               10.1021/jo049405i
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C26 H29 N2 O3 P '
_chemical_formula_sum            'C26 H29 N2 O3 P'
_chemical_formula_weight         448.50
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.448(5)
_cell_length_b                   22.616(5)
_cell_length_c                   8.839(2)
_cell_measurement_temperature    298.1
_cell_volume                     2488.5(1)
_exptl_crystal_density_diffrn    1.197
_cod_database_code               4021236
Solvophobically-Driven Oligo(ethylene glycol) Helical Foldamers. Synthesis, Characterization, and Complexation with Ethane-1,2-diaminium
Jun-Li Hou; Mu-Xin Jia; Xi-Kui Jiang; Zhan-Ting Li; Guang-Ju Chen; Journal of Organic Chemistry 69 (2004) 6228–6237; doi:10.1021/jo049420n

data_4021237
_publ_section_title
;
 Solvophobically-Driven Oligo(ethylene glycol) Helical
 Foldamers. Synthesis, Characterization, and Complexation
 with Ethane-1,2-diaminium
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6228
_journal_page_last               6237
_journal_paper_doi               10.1021/jo049420n
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C40 H40 O8'
_chemical_formula_weight         648.72
_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                 91.413(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   30.022(2)
_cell_length_b                   8.7667(7)
_cell_length_c                   25.924(2)
_cell_measurement_temperature    293(2)
_cell_volume                     6821.0(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.263
_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               4021237
Novel Asymmetric Approach to Proline-Derived Spiro-β-lactams
Alisher B. Khasanov; Michele M. Ramirez-Weinhouse; Thomas R. Webb; Mohan Thiruvazhi; Journal of Organic Chemistry 69 (2004) 5766–5769; doi:10.1021/jo049430o

data_4021238
_publ_section_title
;
 Novel Asymmetric Approach to Proline-Derived Spiro-\b-lactams
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5766
_journal_page_last               5769
_journal_paper_doi               10.1021/jo049430o
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C28 H28 N2 O6 S'
_chemical_formula_weight         520.58
_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                   6.450(2)
_cell_length_b                   18.538(7)
_cell_length_c                   20.600(8)
_cell_measurement_temperature    110(2)
_cell_volume                     2463.1(15)
_diffrn_ambient_temperature      110(2)
_exptl_crystal_density_diffrn    1.404
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'orthorombic' was replaced with
'orthorhombic' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4021238
From Branched Hydrocarbon Propellers to C~3~-Symmetric Graphite Disks
Jishan Wu; Željko Tomovič; Volker Enkelmann; Klaus Müllen; Journal of Organic Chemistry 69 (2004) 5179–5186; doi:10.1021/jo049452a

data_4021239
_publ_section_title
;
 From Branched Hydrocarbon Propellers to C~3~-Symmetric Graphite Disks
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              5179
_journal_page_last               5186
_journal_paper_doi               10.1021/jo049452a
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         ' C153.50 H106 Cl8.18 '
_chemical_formula_sum            'C153.5 H106 Cl8.18'
_chemical_formula_weight         2240.45
_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                72.4710(15)
_cell_angle_beta                 88.1870(12)
_cell_angle_gamma                80.4690(13)
_cell_formula_units_Z            2
_cell_length_a                   14.2290(7)
_cell_length_b                   18.0350(7)
_cell_length_c                   25.1370(9)
_cell_measurement_temperature    293
_cell_volume                     6065.1(4)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    1.227
_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_original_formula_sum        ' C153.50 H106 Cl8.18 '
_cod_database_code               4021239
Preparation and Conformation of Dioxocalix[4]arene Derivatives
Noa Seri; Iris Thondorf; Silvio E. Biali; Journal of Organic Chemistry 69 (2004) 4774–4780; doi:10.1021/jo049466g

data_4021240
_publ_section_title
;
 Preparation and Conformation of Dioxocalix[4]arene Derivatives
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4774
_journal_page_last               4780
_journal_paper_doi               10.1021/jo049466g
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C44 H52 O6,2(C4 H8 O2)'
_chemical_formula_sum            'C52 H68 O10'
_chemical_formula_weight         853.10
_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                104.16(2)
_cell_angle_beta                 96.25(5)
_cell_angle_gamma                82.52(5)
_cell_formula_units_Z            2
_cell_length_a                   11.84(1)
_cell_length_b                   18.897(5)
_cell_length_c                   11.573(3)
_cell_measurement_temperature    293.2
_cell_volume                     2481(2)
_diffrn_ambient_temperature      293.2
_exptl_crystal_density_diffrn    1.142
_refine_ls_R_factor_obs          0.0770
_refine_ls_wR_factor_obs         0.1180
_cod_database_code               4021240
Preparation and Conformation of Dioxocalix[4]arene Derivatives
Noa Seri; Iris Thondorf; Silvio E. Biali; Journal of Organic Chemistry 69 (2004) 4774–4780; doi:10.1021/jo049466g

data_4021241
_publ_section_title
;
 Preparation and Conformation of Dioxocalix[4]arene Derivatives
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4774
_journal_page_last               4780
_journal_paper_doi               10.1021/jo049466g
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C56 H62 N2 O12'
_chemical_formula_sum            'C56 H62 N2 O12'
_chemical_formula_weight         955.11
_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
_cell_angle_beta                 105.76(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.40(1)
_cell_length_b                   12.935(4)
_cell_length_c                   27.73(1)
_cell_measurement_temperature    293.2
_cell_volume                     5317(4)
_diffrn_ambient_temperature      293.2
_exptl_crystal_density_diffrn    1.193
_refine_ls_R_factor_obs          0.0890
_refine_ls_wR_factor_obs         0.1250
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4021241
Preparation and Conformation of Dioxocalix[4]arene Derivatives
Noa Seri; Iris Thondorf; Silvio E. Biali; Journal of Organic Chemistry 69 (2004) 4774–4780; doi:10.1021/jo049466g

data_4021242
_publ_section_title
;
 Preparation and Conformation of Dioxocalix[4]arene Derivatives
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4774
_journal_page_last               4780
_journal_paper_doi               10.1021/jo049466g
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C44 H52 O6 . 0.68 H2O'
_chemical_formula_sum            'C44 H53.36 O6.68'
_chemical_formula_weight         689.13
_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                 93.004(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.6067(16)
_cell_length_b                   14.920(3)
_cell_length_c                   14.587(3)
_cell_measurement_temperature    100(2)
_cell_volume                     1870.6(6)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.216
_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               4021242
Development of Chiral (S)-Prolinol-Derived Ligands for Palladium-Catalyzed Asymmetric Allylic Alkylation: Effect of a Siloxymethyl Group on the Pyrrolidine Backbone
Youichi Tanaka; Takashi Mino; Koji Akita; Masami Sakamoto; Tsutomu Fujita; Journal of Organic Chemistry 69 (2004) 6679–6687; doi:10.1021/jo049469t

data_4021243
_publ_section_title
;
 Development of Chiral (S)-Prolinol-Derived Ligands for
 Palladium-Catalyzed Asymmetric Allylic Alkylation:
 Effect of a Siloxymethyl Group on the Pyrrolidine Backbone
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6679
_journal_page_last               6687
_journal_paper_doi               10.1021/jo049469t
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C24 H26 N O2 P '
_chemical_formula_sum            'C24 H26 N O2 P'
_chemical_formula_weight         391.451
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.274(7)
_cell_length_b                   16.489(8)
_cell_length_c                   11.217(5)
_cell_measurement_temperature    298
_cell_volume                     2085.(2)
_exptl_crystal_density_diffrn    1.247
_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 

The following automatic conversions were performed:

'_atom_site_adp_type' tag value 'Uij' was replaced with 'Uani' value
56 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4021243
Development of Chiral (S)-Prolinol-Derived Ligands for Palladium-Catalyzed Asymmetric Allylic Alkylation: Effect of a Siloxymethyl Group on the Pyrrolidine Backbone
Youichi Tanaka; Takashi Mino; Koji Akita; Masami Sakamoto; Tsutomu Fujita; Journal of Organic Chemistry 69 (2004) 6679–6687; doi:10.1021/jo049469t

data_4021244
_publ_section_title
;
 Development of Chiral (S)-Prolinol-Derived Ligands for
 Palladium-Catalyzed Asymmetric Allylic Alkylation:
 Effect of a Siloxymethyl Group on the Pyrrolidine Backbone
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6679
_journal_page_last               6687
_journal_paper_doi               10.1021/jo049469t
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C27 H34 N O2 P Si '
_chemical_formula_sum            'C27 H34 N O2 P Si'
_chemical_formula_weight         463.634
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 96.18(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.651(4)
_cell_length_b                   6.518(2)
_cell_length_c                   12.890(4)
_cell_measurement_temperature    298
_cell_volume                     1307.3(7)
_exptl_crystal_density_diffrn    1.178
_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 

The following automatic conversions were performed:

'_atom_site_adp_type' tag value 'Uij' was replaced with 'Uani' value
64 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C27 H34 N O2 P Si '
_cod_database_code               4021244