LMucko/crystallography-open-database huggingface dataset:
A Highly Pyramidalized Cage Alkene Formed via the Double Diels-Alder Cycloaddition of syn-4,5,13,14-Bis(dehydro)octafluoroparacyclophane to Anthracene
William R. Dolbier, Jr.; Yi-An Zhai; Merle A. Battiste; Khalil A. Abboud; Ion Ghiviriga; Journal of Organic Chemistry 70 (2005) 10336–10341; doi:10.1021/jo051488v

data_4020695
_publ_section_title
;
 A Highly Pyramidalized Cage Alkene Formed via
 the Double Diels-Alder Cycloaddition of
 syn-4,5,13,14-Bis(dehydro)octafluoroparacyclophane
 to Anthracene
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10336
_journal_page_last               10341
_journal_paper_doi               10.1021/jo051488v
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C30 H16 Cl2 F8'
_chemical_formula_weight         1797.98
_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                83.289(1)
_cell_angle_beta                 80.492(1)
_cell_angle_gamma                64.244(1)
_cell_formula_units_Z            3
_cell_length_a                   9.2819(5)
_cell_length_b                   9.7160(6)
_cell_length_c                   21.2585(12)
_cell_measurement_temperature    173(2)
_cell_volume                     1700.78(17)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.755
_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               4020695
A Highly Pyramidalized Cage Alkene Formed via the Double Diels-Alder Cycloaddition of syn-4,5,13,14-Bis(dehydro)octafluoroparacyclophane to Anthracene
William R. Dolbier, Jr.; Yi-An Zhai; Merle A. Battiste; Khalil A. Abboud; Ion Ghiviriga; Journal of Organic Chemistry 70 (2005) 10336–10341; doi:10.1021/jo051488v

data_4020696
_publ_section_title
;
 A Highly Pyramidalized Cage Alkene Formed via
 the Double Diels-Alder Cycloaddition of
 syn-4,5,13,14-Bis(dehydro)octafluoroparacyclophane
 to Anthracene
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10336
_journal_page_last               10341
_journal_paper_doi               10.1021/jo051488v
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C30 H14 F8'
_chemical_formula_weight         526.42
_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                 104.872(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.3031(5)
_cell_length_b                   14.1979(8)
_cell_length_c                   16.3548(9)
_cell_measurement_temperature    173(2)
_cell_volume                     2087.9(2)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.675
_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               4020696
A Highly Pyramidalized Cage Alkene Formed via the Double Diels-Alder Cycloaddition of syn-4,5,13,14-Bis(dehydro)octafluoroparacyclophane to Anthracene
William R. Dolbier, Jr.; Yi-An Zhai; Merle A. Battiste; Khalil A. Abboud; Ion Ghiviriga; Journal of Organic Chemistry 70 (2005) 10336–10341; doi:10.1021/jo051488v

data_4020697
_publ_section_title
;
 A Highly Pyramidalized Cage Alkene Formed via
 the Double Diels-Alder Cycloaddition of
 syn-4,5,13,14-Bis(dehydro)octafluoroparacyclophane
 to Anthracene
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10336
_journal_page_last               10341
_journal_paper_doi               10.1021/jo051488v
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C30 H14 F8 O'
_chemical_formula_weight         542.41
_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                 105.490(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.2818(7)
_cell_length_b                   14.745(2)
_cell_length_c                   15.9431(11)
_cell_measurement_temperature    173(2)
_cell_volume                     2102.8(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.713
_exptl_crystal_density_meas      0
_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               4020697
Stereocontrolled Synthesis of (-)-Kainic Acid from trans-4-Hydroxy-L-proline
Jean-François Poisson; Arturo Orellana; Andrew E. Greene; Journal of Organic Chemistry 70 (2005) 10860–10863; doi:10.1021/jo051508t

data_4020698
_publ_section_title
;
 Stereocontrolled Synthesis of (-)-Kainic Acid
 from trans-4-Hydroxy-L-proline
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10860
_journal_page_last               10863
_journal_paper_doi               10.1021/jo051508t
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C27 H29 N O5'
_chemical_formula_weight         447.53
_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
_cell_angle_beta                 118.67(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.921(5)
_cell_length_b                   27.47(1)
_cell_length_c                   10.021(5)
_cell_measurement_temperature    293.0
_cell_volume                     2396(2)
_diffrn_ambient_temperature      293.0
_exptl_crystal_density_diffrn    1.241
_cod_depositor_comments
;
The following automatic conversions were performed:
data name '_geom_bond_atom_site_label_D' replaced with
'_geom_hbond_atom_site_label_D' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_bond_atom_site_label_H' replaced with
'_geom_hbond_atom_site_label_H' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_bond_atom_site_label_A' replaced with
'_geom_hbond_atom_site_label_A' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_bond_distance_DH' replaced with '_geom_hbond_distance_DH'
as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_contact_distance_HA' replaced with
'_geom_hbond_distance_HA' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_contact_distance_DA' replaced with
'_geom_hbond_distance_DA' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_angle_DHA' replaced with '_geom_hbond_angle_DHA' as
specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

data
name '_geom_contact_site_symmetry_A' replaced with
'_geom_hbond_site_symmetry_A' as specified in the replacement file
'/home/antanas/src/cod-tools/trunk/data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 5005 2017-03-03 11:38:54Z antanas 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C27 H29 N O5 '
_cod_database_code               4020698
Conformationally Constrained β-Amino Acid Derivatives by Intramolecular [2 + 2]-Photocycloaddition of a Tetronic Acid Amide and Subsequent Lactone Ring Opening
Birte Basler; Oliver Schuster; Thorsten Bach; Journal of Organic Chemistry 70 (2005) 9798–9808; doi:10.1021/jo0515226

data_4020699
_publ_section_title
;
 Conformationally Constrained \b-Amino Acid Derivatives
 by Intramolecular [2 + 2]-Photocycloaddition of a Tetronic
 Acid Amide and Subsequent Lactone Ring Opening
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9798
_journal_page_last               9808
_journal_paper_doi               10.1021/jo0515226
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C13 H19 N O4'
_chemical_formula_weight         253.29
_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                 96.979(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   20.4347(16)
_cell_length_b                   6.6251(6)
_cell_length_c                   19.3921(14)
_cell_measurement_temperature    143(2)
_cell_volume                     2605.9(4)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    1.291
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4020699
Conformationally Constrained β-Amino Acid Derivatives by Intramolecular [2 + 2]-Photocycloaddition of a Tetronic Acid Amide and Subsequent Lactone Ring Opening
Birte Basler; Oliver Schuster; Thorsten Bach; Journal of Organic Chemistry 70 (2005) 9798–9808; doi:10.1021/jo0515226

data_4020700
_publ_section_title
;
 Conformationally Constrained \b-Amino Acid Derivatives
 by Intramolecular [2 + 2]-Photocycloaddition of a Tetronic
 Acid Amide and Subsequent Lactone Ring Opening
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9798
_journal_page_last               9808
_journal_paper_doi               10.1021/jo0515226
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C22.5 H25 Cl N2 O3'
_chemical_formula_weight         406.90
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b 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                   32.3497(6)
_cell_length_b                   9.91170(10)
_cell_length_c                   12.2514(2)
_cell_measurement_temperature    143(2)
_cell_volume                     3928.30(10)
_diffrn_ambient_temperature      143(2)
_exptl_crystal_density_diffrn    1.376
_cod_original_formula_sum        'C22.50 H25 Cl N2 O3'
_cod_database_code               4020700
OSW Saponins: Facile Synthesis toward a New Type of Structures with Potent Antitumor Activities
Bingfeng Shi; Pingping Tang; Xiaoyi Hu; Jun O. Liu; Biao Yu; Journal of Organic Chemistry 70 (2005) 10354–10367; doi:10.1021/jo051536b

data_4020701
_publ_section_title
;
 OSW Saponins: Facile Synthesis toward a New Type
 of Structures with Potent Antitumor Activities
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10354
_journal_page_last               10367
_journal_paper_doi               10.1021/jo051536b
_journal_volume                  70
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_sum            'C34 H48 O6'
_chemical_formula_weight         552.72
_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                 106.209(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.599(5)
_cell_length_b                   6.156(2)
_cell_length_c                   18.000(7)
_cell_measurement_temperature    293(2)
_cell_volume                     1553.5(10)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.182
_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               4020701
OSW Saponins: Facile Synthesis toward a New Type of Structures with Potent Antitumor Activities
Bingfeng Shi; Pingping Tang; Xiaoyi Hu; Jun O. Liu; Biao Yu; Journal of Organic Chemistry 70 (2005) 10354–10367; doi:10.1021/jo051536b

data_4020702
_publ_section_title
;
 OSW Saponins: Facile Synthesis toward a New Type
 of Structures with Potent Antitumor Activities
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10354
_journal_page_last               10367
_journal_paper_doi               10.1021/jo051536b
_journal_volume                  70
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_sum            'C30 H50 O5 Si'
_chemical_formula_weight         518.79
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 127.911(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   28.197(7)
_cell_length_b                   6.3152(17)
_cell_length_c                   22.247(6)
_cell_measurement_temperature    293(2)
_cell_volume                     3125.5(14)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.103
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'Monoclinc' was replaced with
'monoclinic' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               4020702
The Synthesis and Preliminary Biological Evaluation of a Novel Steroid with Neurotrophic Activity: NGA0187
Zihao Hua; David A. Carcache; Yuan Tian; Yue-Ming Li; Samuel J. Danishefsky; Journal of Organic Chemistry 70 (2005) 9849–9856; doi:10.1021/jo051556d

data_4020703
_publ_section_title
;
 The Synthesis and Preliminary Biological Evaluation of a Novel Steroid
 with Neurotrophic Activity: NGA0187
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9849
_journal_page_last               9856
_journal_paper_doi               10.1021/jo051556d
_journal_volume                  70
_journal_year                    2005
_chemical_absolute_configuration rm
_chemical_formula_sum            'C30 H48 O6'
_chemical_formula_weight         504.68
_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                 93.85(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.1600(12)
_cell_length_b                   12.062(2)
_cell_length_c                   19.348(4)
_cell_measurement_temperature    100(2)
_cell_volume                     1434.3(5)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.169
_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               4020703
Bridging of Bipyridine Units by Phenylphosphine Links: Linear and Cyclic Oligomers and Some Acid Derivatives
Raymond F. Ziessel; Loïc J. Charbonnière; Samir Mameri; Franck Camerel; Journal of Organic Chemistry 70 (2005) 9835–9840; doi:10.1021/jo051586g

data_4020704
_publ_section_title
;
 Bridging of Bipyridine Units by Phenylphosphine Links:
 Linear and Cyclic Oligomers and Some Acid Derivatives
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9835
_journal_page_last               9840
_journal_paper_doi               10.1021/jo051586g
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C28 H23 N4 O P'
_chemical_formula_weight         462.47
_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                 91.29(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.403(3)
_cell_length_b                   14.622(6)
_cell_length_c                   9.752(4)
_cell_measurement_temperature    293(2)
_cell_volume                     1198.0(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.282
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4020704
Bridging of Bipyridine Units by Phenylphosphine Links: Linear and Cyclic Oligomers and Some Acid Derivatives
Raymond F. Ziessel; Loïc J. Charbonnière; Samir Mameri; Franck Camerel; Journal of Organic Chemistry 70 (2005) 9835–9840; doi:10.1021/jo051586g

data_4020705
_publ_section_title
;
 Bridging of Bipyridine Units by Phenylphosphine Links:
 Linear and Cyclic Oligomers and Some Acid Derivatives
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9835
_journal_page_last               9840
_journal_paper_doi               10.1021/jo051586g
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C131 H98 Cl2 N16 O10 P8'
_chemical_formula_sum            'C131 H98 Cl2 N16 O10 P8'
_chemical_formula_weight         2375.04
_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
_cell_angle_beta                 97.370(5)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   8.4707(2)
_cell_length_b                   14.1600(3)
_cell_length_c                   23.7508(7)
_cell_measurement_temperature    173
_cell_volume                     2825.3(1)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.40
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2018-01-29
;
_cod_original_sg_symbol_Hall     ' P 2yb'
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4020705
Bridging of Bipyridine Units by Phenylphosphine Links: Linear and Cyclic Oligomers and Some Acid Derivatives
Raymond F. Ziessel; Loïc J. Charbonnière; Samir Mameri; Franck Camerel; Journal of Organic Chemistry 70 (2005) 9835–9840; doi:10.1021/jo051586g

data_4020706
_publ_section_title
;
 Bridging of Bipyridine Units by Phenylphosphine Links:
 Linear and Cyclic Oligomers and Some Acid Derivatives
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9835
_journal_page_last               9840
_journal_paper_doi               10.1021/jo051586g
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C32 H27 N4 O5 P'
_chemical_formula_sum            'C32 H27 N4 O5 P'
_chemical_formula_weight         578.57
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.976(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.1180(3)
_cell_length_b                   20.8664(8)
_cell_length_c                   8.9972(3)
_cell_measurement_temperature    173
_cell_volume                     1441.24(9)
_diffrn_ambient_temperature      173
_exptl_crystal_density_diffrn    1.33
_cod_original_sg_symbol_H-M      'P 21/m'
_cod_database_code               4020706
Highly Diastereoselective Cyanation of Methyl Ketimines Obtained from (R)-Glyceraldehyde
Ramón Badorrey; Carlos Cativiela; María D. Díaz-de-Villegas; Roberto Díez; Fabrizio Galbiati; José A. Gálvez; Journal of Organic Chemistry 70 (2005) 10102–10105; doi:10.1021/jo051592c

data_4020707
_publ_section_title
;
 Highly Diastereoselective Cyanation of Methyl Ketimines
 Obtained from (R)-Glyceraldehyde
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10102
_journal_page_last               10105
_journal_paper_doi               10.1021/jo051592c
_journal_volume                  70
_journal_year                    2005
_chemical_absolute_configuration rm
_chemical_formula_sum            'C15 H20 N2 O2'
_chemical_formula_weight         260.33
_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                   6.8550(10)
_cell_length_b                   10.4970(10)
_cell_length_c                   20.241(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1456.5(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.187
_cod_database_code               4020707