LMucko/crystallography-open-database huggingface dataset:
A Convenient Preparation of Xanthene Dyes
Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin; Journal of Organic Chemistry 70 (2005) 6907–6912; doi:10.1021/jo051002a

data_4020531
_publ_section_title
;
 A Convenient Preparation of Xanthene Dyes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6907
_journal_page_last               6912
_journal_paper_doi               10.1021/jo051002a
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C29 H28 O5'
_chemical_formula_sum            'C29 H28 O5'
_chemical_formula_weight         456.51
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                82.266(12)
_cell_angle_beta                 77.781(13)
_cell_angle_gamma                71.274(15)
_cell_formula_units_Z            4
_cell_length_a                   9.871(2)
_cell_length_b                   13.157(3)
_cell_length_c                   19.747(6)
_cell_measurement_temperature    110
_cell_volume                     2367.7(10)
_diffrn_ambient_temperature      110
_exptl_crystal_density_diffrn    1.281
_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               4020531
A Convenient Preparation of Xanthene Dyes
Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin; Journal of Organic Chemistry 70 (2005) 6907–6912; doi:10.1021/jo051002a

data_4020532
_publ_section_title
;
 A Convenient Preparation of Xanthene Dyes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6907
_journal_page_last               6912
_journal_paper_doi               10.1021/jo051002a
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C23 H23 N O7'
_chemical_formula_sum            'C23 H23 N O7'
_chemical_formula_weight         425.42
_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                 91.634(11)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.314(2)
_cell_length_b                   18.175(5)
_cell_length_c                   14.129(4)
_cell_measurement_temperature    298
_cell_volume                     2134.1(10)
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    1.324
_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               4020532
A Convenient Preparation of Xanthene Dyes
Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin; Journal of Organic Chemistry 70 (2005) 6907–6912; doi:10.1021/jo051002a

data_4020533
_publ_section_title
;
 A Convenient Preparation of Xanthene Dyes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6907
_journal_page_last               6912
_journal_paper_doi               10.1021/jo051002a
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C14 H19 B O4'
_chemical_formula_sum            'C14 H19 B O4'
_chemical_formula_weight         262.10
_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                 109.077(8)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   24.683(3)
_cell_length_b                   6.5797(10)
_cell_length_c                   18.174(2)
_cell_measurement_temperature    105
_cell_volume                     2789.5(6)
_diffrn_ambient_temperature      105
_exptl_crystal_density_diffrn    1.248
_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               4020533
A Convenient Preparation of Xanthene Dyes
Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin; Journal of Organic Chemistry 70 (2005) 6907–6912; doi:10.1021/jo051002a

data_4020534
_publ_section_title
;
 A Convenient Preparation of Xanthene Dyes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6907
_journal_page_last               6912
_journal_paper_doi               10.1021/jo051002a
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C31 H32 O6'
_chemical_formula_sum            'C31 H32 O6'
_chemical_formula_weight         500.57
_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                 90.018(13)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.720(4)
_cell_length_b                   10.930(4)
_cell_length_c                   19.726(10)
_cell_measurement_temperature    105
_cell_volume                     2526.9(18)
_diffrn_ambient_temperature      105
_exptl_crystal_density_diffrn    1.316
_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               4020534
A Convenient Preparation of Xanthene Dyes
Youjun Yang; Jorge O. Escobedo; Alexander Wong; Corin M. Schowalter; Michael C. Touchy; Lijuan Jiao; William E. Crowe; Frank R. Fronczek; Robert M. Strongin; Journal of Organic Chemistry 70 (2005) 6907–6912; doi:10.1021/jo051002a

data_4020535
_publ_section_title
;
 A Convenient Preparation of Xanthene Dyes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6907
_journal_page_last               6912
_journal_paper_doi               10.1021/jo051002a
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C8 H11 B O4'
_chemical_formula_sum            'C8 H11 B O4'
_chemical_formula_weight         181.98
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                94.751(10)
_cell_angle_beta                 94.535(10)
_cell_angle_gamma                96.537(14)
_cell_formula_units_Z            2
_cell_length_a                   6.992(2)
_cell_length_b                   7.916(2)
_cell_length_c                   7.998(2)
_cell_measurement_temperature    105
_cell_volume                     436.5(2)
_diffrn_ambient_temperature      105
_exptl_crystal_density_diffrn    1.384
_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               4020535
Esters of 2-iodoxybenzoic acid (IBX-esters): hypervalent iodine oxidizing reagents with a pseudobenziodoxole structure
Viktor V. Zhdankin; Alexey Y. Koposov; Dmitry N. Litvinov; Michael J. Ferguson; Robert McDonald; Thanh Luu; Rik R. Tykwinski; Journal of Organic Chemistry 70 (2005) 6484–6491; doi:10.1021/jo051010r

data_4020536
_publ_section_title
;
Esters of 2-iodoxybenzoic acid (IBX-esters): hypervalent iodine
  oxidizing reagents with a pseudobenziodoxole structure
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6484
_journal_page_last               6491
_journal_paper_doi               10.1021/jo051010r
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C56 H68 I4 O24'
_chemical_formula_sum            'C56 H68 I4 O24'
_chemical_formula_weight         1632.70
_space_group_IT_number           33
_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.7076(11)
_cell_length_b                   14.2272(8)
_cell_length_c                   23.5360(13)
_cell_measurement_temperature    193(2)
_cell_volume                     6599.1(6)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.643
_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               4020536
Esters of 2-iodoxybenzoic acid (IBX-esters): hypervalent iodine oxidizing reagents with a pseudobenziodoxole structure
Viktor V. Zhdankin; Alexey Y. Koposov; Dmitry N. Litvinov; Michael J. Ferguson; Robert McDonald; Thanh Luu; Rik R. Tykwinski; Journal of Organic Chemistry 70 (2005) 6484–6491; doi:10.1021/jo051010r

data_4020537
_publ_section_title
;
Esters of 2-iodoxybenzoic acid (IBX-esters): hypervalent iodine
  oxidizing reagents with a pseudobenziodoxole structure
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6484
_journal_page_last               6491
_journal_paper_doi               10.1021/jo051010r
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C12 H13 I O7'
_chemical_formula_sum            'C12 H13 I O7'
_chemical_formula_weight         396.12
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.4834(7)
_cell_angle_beta                 107.9121(7)
_cell_angle_gamma                114.6969(7)
_cell_formula_units_Z            2
_cell_length_a                   8.0018(3)
_cell_length_b                   8.7268(4)
_cell_length_c                   11.8450(5)
_cell_measurement_temperature    193(2)
_cell_volume                     703.56(5)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.870
_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               4020537
Synthesis of the Branched-Chain Sugar Aceric Acid: A Unique Component of the Pectic Polysaccharide Rhamnogalacturonan-II
Nigel A. Jones; Sergey A. Nepogodiev; Colin J. MacDonald; David L. Hughes; Robert A. Field; Journal of Organic Chemistry 70 (2005) 8556–8559; doi:10.1021/jo051012b

data_4020538
_publ_section_title
;
 Synthesis of the Branched-Chain Sugar Aceric Acid:
 A Unique Component of the Pectic Polysaccharide
 Rhamnogalacturonan-II
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8556
_journal_page_last               8559
_journal_paper_doi               10.1021/jo051012b
_journal_volume                  70
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C11 H15 N O4 S'
_chemical_formula_structural     'an L-xylose derivative'
_chemical_formula_sum            'C11 H15 N O4 S'
_chemical_formula_weight         257.30
_chemical_name_common            'Compound 11'
_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                 110.29(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.110(4)
_cell_length_b                   10.412(8)
_cell_length_c                   9.457(6)
_cell_measurement_temperature    140(1)
_cell_volume                     656.6(7)
_diffrn_ambient_temperature      140(1)
_exptl_crystal_density_diffrn    1.301
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4020538
Synthesis of the Branched-Chain Sugar Aceric Acid: A Unique Component of the Pectic Polysaccharide Rhamnogalacturonan-II
Nigel A. Jones; Sergey A. Nepogodiev; Colin J. MacDonald; David L. Hughes; Robert A. Field; Journal of Organic Chemistry 70 (2005) 8556–8559; doi:10.1021/jo051012b

data_4020539
_publ_section_title
;
 Synthesis of the Branched-Chain Sugar Aceric Acid:
 A Unique Component of the Pectic Polysaccharide
 Rhamnogalacturonan-II
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8556
_journal_page_last               8559
_journal_paper_doi               10.1021/jo051012b
_journal_volume                  70
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C18 H21 N O4 S'
_chemical_formula_structural     'an L-ribofuranose derivative'
_chemical_formula_sum            'C18 H21 N O4 S'
_chemical_formula_weight         347.42
_chemical_name_common            'Compound 14'
_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                 99.81(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   13.754(4)
_cell_length_b                   8.069(2)
_cell_length_c                   8.0410(19)
_cell_measurement_temperature    293(2)
_cell_volume                     879.4(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.312
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4020539
N-Sulfinyl Metalloenamine Conjugate Additions: Asymmetric Synthesis of Piperidines
Hillary M. Peltier; Jonathan A. Ellman; Journal of Organic Chemistry 70 (2005) 7342–7345; doi:10.1021/jo051020s

data_4020540
_publ_section_title
;
 N-Sulfinyl Metalloenamine Conjugate Additions:
 Asymmetric Synthesis of Piperidines
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7342
_journal_page_last               7345
_journal_paper_doi               10.1021/jo051020s
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C23 H26 F3 N O2 '
_chemical_formula_sum            'C23 H26 F3 N O2'
_chemical_formula_weight         405.46
_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                   11.567(1)
_cell_length_b                   13.101(1)
_cell_length_c                   13.604(2)
_cell_measurement_temperature    273.2
_cell_volume                     2061.6(4)
_exptl_crystal_density_diffrn    1.306
_cod_original_formula_sum        'C23 H26 F3 N O2 '
_cod_database_code               4020540
P-Chiral o-Phosphinophenol as a P/O Hybrid Ligand: Preparation and Use in Cu-Catalyzed Asymmetric Conjugate Addition of Diethylzinc to Acyclic Enones
Yukitoshi Takahashi; Yoshikazu Yamamoto; Kosuke Katagiri; Hiroshi Danjo; Kentaro Yamaguchi; Tsuneo Imamoto; Journal of Organic Chemistry 70 (2005) 9009–9012; doi:10.1021/jo051034y

data_4020541
_publ_section_title
;
 P-Chiral o-Phosphinophenol as a P/O Hybrid Ligand:
 Preparation and Use in Cu-Catalyzed Asymmetric
 Conjugate Addition of Diethylzinc to Acyclic Enones
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9009
_journal_page_last               9012
_journal_paper_doi               10.1021/jo051034y
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C12 H22 B O P'
_chemical_formula_sum            'C12 H22 B O P'
_chemical_formula_weight         224.08
_chemical_name_common
;
 (S)-2-anisyl(t-butyl)methylphosphpine-borane
;
_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                   9.3650(2)
_cell_length_b                   10.6994(2)
_cell_length_c                   13.7621(2)
_cell_measurement_temperature    150(2)
_cell_volume                     1378.96(4)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.079
_cod_database_code               4020541
Free-Radical-5-exo-Trig Cyclization of Chiral 3-Silylhepta-1,6-dienes: Concise Approach to the A-B-C Ring Core of Hexacyclinic Acid
Philippe James; François-Xavier Felpin; Yannick Landais; Kurt Schenk; Journal of Organic Chemistry 70 (2005) 7985–7995; doi:10.1021/jo051062g

data_4020542
_publ_section_title
;
 Free-Radical-5-exo-Trig Cyclization of Chiral
 3-Silylhepta-1,6-dienes: Concise Approach to the
 A-B-C Ring Core of Hexacyclinic Acid
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7985
_journal_page_last               7995
_journal_paper_doi               10.1021/jo051062g
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C19 H28 O2 S'
_chemical_formula_weight         320.47
_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                 97.62(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.9478(12)
_cell_length_b                   8.3754(17)
_cell_length_c                   17.855(4)
_cell_measurement_temperature    293(2)
_cell_volume                     881.6(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.207
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4020542
Free-Radical-5-exo-Trig Cyclization of Chiral 3-Silylhepta-1,6-dienes: Concise Approach to the A-B-C Ring Core of Hexacyclinic Acid
Philippe James; François-Xavier Felpin; Yannick Landais; Kurt Schenk; Journal of Organic Chemistry 70 (2005) 7985–7995; doi:10.1021/jo051062g

data_4020543
_publ_section_title
;
 Free-Radical-5-exo-Trig Cyclization of Chiral
 3-Silylhepta-1,6-dienes: Concise Approach to the
 A-B-C Ring Core of Hexacyclinic Acid
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7985
_journal_page_last               7995
_journal_paper_doi               10.1021/jo051062g
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C22 H23 N O6 S'
_chemical_formula_weight         429.47
_space_group_IT_number           41
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C -2ac 2'
_symmetry_space_group_name_H-M   'C 2 c b'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            16
_cell_length_a                   7.680
_cell_length_b                   25.480
_cell_length_c                   42.460
_cell_measurement_temperature    293(2)
_cell_volume                     8308.8
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.373
_cod_database_code               4020543
Free-Radical-5-exo-Trig Cyclization of Chiral 3-Silylhepta-1,6-dienes: Concise Approach to the A-B-C Ring Core of Hexacyclinic Acid
Philippe James; François-Xavier Felpin; Yannick Landais; Kurt Schenk; Journal of Organic Chemistry 70 (2005) 7985–7995; doi:10.1021/jo051062g

data_4020544
_publ_section_title
;
 Free-Radical-5-exo-Trig Cyclization of Chiral
 3-Silylhepta-1,6-dienes: Concise Approach to the
 A-B-C Ring Core of Hexacyclinic Acid
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7985
_journal_page_last               7995
_journal_paper_doi               10.1021/jo051062g
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C25 H32 O4 S Si'
_chemical_formula_weight         456.66
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2a -2ab'
_symmetry_space_group_name_H-M   'P b 21 a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   11.565(2)
_cell_length_b                   19.428(4)
_cell_length_c                   22.298(5)
_cell_measurement_temperature    293(2)
_cell_volume                     5010.2(17)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.211
_cod_database_code               4020544