LMucko/crystallography-open-database huggingface dataset:
Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate
María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash; Journal of Organic Chemistry 70 (2005) 7919–7924; doi:10.1021/jo0509511

data_4020502
_publ_section_title
;
 Oxygenation of Alkane C-H Bonds with
 Methyl(trifluoromethyl)dioxirane: Effect of
 the Substituents and the Solvent
 on the Reaction Rate
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7919
_journal_page_last               7924
_journal_paper_doi               10.1021/jo0509511
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C11 H18 O4 S'
_chemical_formula_weight         246.31
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                80.519(9)
_cell_angle_beta                 78.775(9)
_cell_angle_gamma                67.896(8)
_cell_formula_units_Z            8
_cell_length_a                   12.1189(13)
_cell_length_b                   14.4813(15)
_cell_length_c                   15.0400(16)
_cell_measurement_temperature    293(2)
_cell_volume                     2386.5(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.371
_cod_database_code               4020502
Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate
María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash; Journal of Organic Chemistry 70 (2005) 7919–7924; doi:10.1021/jo0509511

data_4020503
_publ_section_title
;
 Oxygenation of Alkane C-H Bonds with
 Methyl(trifluoromethyl)dioxirane: Effect of
 the Substituents and the Solvent
 on the Reaction Rate
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7919
_journal_page_last               7924
_journal_paper_doi               10.1021/jo0509511
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C12 H18 O2'
_chemical_formula_weight         194.26
_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                 90.204(15)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.355(2)
_cell_length_b                   11.4931(12)
_cell_length_c                   10.8936(13)
_cell_measurement_temperature    293(2)
_cell_volume                     1046.1(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.233
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4020503
Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate
María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash; Journal of Organic Chemistry 70 (2005) 7919–7924; doi:10.1021/jo0509511

data_4020504
_publ_section_title
;
 Oxygenation of Alkane C-H Bonds with
 Methyl(trifluoromethyl)dioxirane: Effect of
 the Substituents and the Solvent
 on the Reaction Rate
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7919
_journal_page_last               7924
_journal_paper_doi               10.1021/jo0509511
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C11 H18 O3 S'
_chemical_formula_weight         230.31
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 105.93(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.277(5)
_cell_length_b                   10.130(2)
_cell_length_c                   9.365(2)
_cell_measurement_temperature    293(2)
_cell_volume                     2214.7(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.382
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4020504
Oxygenation of Alkane C-H Bonds with Methyl(trifluoromethyl)dioxirane: Effect of the Substituents and the Solvent on the Reaction Rate
María E. González Núñez; Jorge Royo; Rossella Mello; Minerva Báguena; Jaime Martínez Ferrer; Carmen Ramírez de Arellano; Gregorio Asensio; G. K. Surya Prakash; Journal of Organic Chemistry 70 (2005) 7919–7924; doi:10.1021/jo0509511

data_4020505
_publ_section_title
;
 Oxygenation of Alkane C-H Bonds with
 Methyl(trifluoromethyl)dioxirane: Effect of
 the Substituents and the Solvent
 on the Reaction Rate
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7919
_journal_page_last               7924
_journal_paper_doi               10.1021/jo0509511
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C11 H18 O3 S'
_chemical_formula_weight         230.31
_chemical_name_common            jr08
_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                 107.67(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.440(5)
_cell_length_b                   9.935(2)
_cell_length_c                   9.545(2)
_cell_measurement_temperature    283(2)
_cell_volume                     2208.3(9)
_diffrn_ambient_temperature      283(2)
_exptl_crystal_density_diffrn    1.385
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4020505
Xiaoguang Lei; Nava Zaarur; Michael Y. Sherman; John A. Porco, Jr.; Journal of Organic Chemistry 70 (2005) 6474–6483; doi:10.1021/jo050956y

data_4020506
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6474
_journal_page_last               6483
_journal_paper_doi               10.1021/jo050956y
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C15 H17 Cl2 N O5'
_chemical_formula_weight         362.20
_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                 101.8200(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.2845(6)
_cell_length_b                   7.8086(4)
_cell_length_c                   15.4619(7)
_cell_measurement_temperature    173(2)
_cell_volume                     1569.90(13)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.532
_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_original_formula_sum        'C14 H15 N O5, C H2 Cl2'
_cod_database_code               4020506
Xiaoguang Lei; Nava Zaarur; Michael Y. Sherman; John A. Porco, Jr.; Journal of Organic Chemistry 70 (2005) 6474–6483; doi:10.1021/jo050956y

data_4020507
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6474
_journal_page_last               6483
_journal_paper_doi               10.1021/jo050956y
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C16 H15 N3 O5'
_chemical_formula_weight         329.31
_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                   7.2933(10)
_cell_length_b                   8.2345(12)
_cell_length_c                   24.418(3)
_cell_measurement_temperature    173(2)
_cell_volume                     1466.4(3)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.492
_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               4020507
Synthesis of 2H-1,2-Benzothiazine 1,1-Dioxides via Heteroannulation Reactions of 2-Iodobenzenesulfonamide with Ketone Enolates under S~RN1~ Conditions
William J. Layman, Jr.; Thomas D. Greenwood; Aaron L. Downey; James F. Wolfe; Journal of Organic Chemistry 70 (2005) 9147–9155; doi:10.1021/jo050964e

data_4020508
_publ_section_title
;
 Synthesis of 2H-1,2-Benzothiazine 1,1-Dioxides
 via Heteroannulation Reactions of 2-Iodobenzenesulfonamide
 with Ketone Enolates under S~RN1~ Conditions
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9147
_journal_page_last               9155
_journal_paper_doi               10.1021/jo050964e
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C14 H18 N O3 S'
_chemical_formula_sum            'C14 H18 N O3 S'
_chemical_formula_weight         280.35
_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                 97.524(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.4064(8)
_cell_length_b                   11.4106(8)
_cell_length_c                   12.0893(10)
_cell_measurement_temperature    100(2)
_cell_volume                     1286.40(18)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.448
_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               4020508
A Facile Zr-Mediated Approach to (Z)-Enynols and Its Application to Regio- and Stereoselective Synthesis of Fully Substituted Dihydrofurans
Yuanhong Liu; Feijie Song; Liqing Cong; Journal of Organic Chemistry 70 (2005) 6999–7002; doi:10.1021/jo050966z

data_4020509
_publ_section_title
;
 A Facile Zr-Mediated Approach to (Z)-Enynols and Its Application
 to Regio- and Stereoselective Synthesis of Fully Substituted
 Dihydrofurans
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6999
_journal_page_last               7002
_journal_paper_doi               10.1021/jo050966z
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C30 H22 Cl I O'
_chemical_formula_weight         560.83
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.4640(11)
_cell_length_b                   12.6256(8)
_cell_length_c                   22.5394(14)
_cell_measurement_temperature    293(2)
_cell_volume                     4969.8(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.499
_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               4020509
A Facile Zr-Mediated Approach to (Z)-Enynols and Its Application to Regio- and Stereoselective Synthesis of Fully Substituted Dihydrofurans
Yuanhong Liu; Feijie Song; Liqing Cong; Journal of Organic Chemistry 70 (2005) 6999–7002; doi:10.1021/jo050966z

data_4020510
_publ_section_title
;
 A Facile Zr-Mediated Approach to (Z)-Enynols and Its Application
 to Regio- and Stereoselective Synthesis of Fully Substituted
 Dihydrofurans
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6999
_journal_page_last               7002
_journal_paper_doi               10.1021/jo050966z
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C28 H26 Cl I O'
_chemical_formula_weight         540.84
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.795(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.7037(16)
_cell_length_b                   16.0224(18)
_cell_length_c                   20.793(2)
_cell_measurement_temperature    293(2)
_cell_volume                     4896.1(9)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.467
_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               4020510
A Carbohydrate-Based Approach for the Total Synthesis of 1,3-Polyol/α-Pyrone Antifungal Natural Products
C. V. Ramana; Burgula Srinivas; Vedavati G. Puranik; Mukund K. Gurjar; Journal of Organic Chemistry 70 (2005) 8216–8219; doi:10.1021/jo050972v

data_4020511
_publ_section_title
;
 A Carbohydrate-Based Approach for the Total Synthesis of
 1,3-Polyol/\a-Pyrone Antifungal Natural Products
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8216
_journal_page_last               8219
_journal_paper_doi               10.1021/jo050972v
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C17 H22 O6'
_chemical_formula_sum            'C17 H22 O6'
_chemical_formula_weight         322.35
_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                 93.846(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.1952(11)
_cell_length_b                   6.1777(8)
_cell_length_c                   15.0039(18)
_cell_measurement_temperature    293(2)
_cell_volume                     850.38(18)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.259
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4020511
A Noncarbohydrate Based Approach to Polyhydroxylated Pyrrolidizines: Total Syntheses of the Natural Products Hyacinthacine A~1~ and 1-Epiaustraline
Timothy J. Donohoe; Herman O. Sintim; Jackie Hollinshead; Journal of Organic Chemistry 70 (2005) 7297–7304; doi:10.1021/jo050977s

data_4020512
_publ_section_title
;
 A Noncarbohydrate Based Approach to Polyhydroxylated
 Pyrrolidizines: Total Syntheses of the Natural Products
 Hyacinthacine A~1~ and 1-Epiaustraline
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7297
_journal_page_last               7304
_journal_paper_doi               10.1021/jo050977s
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         ' C21 H39 N1 O7 Si1 '
_chemical_formula_sum            'C21 H39 N O7 Si'
_chemical_formula_weight         445.63
_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                87.0184(7)
_cell_angle_beta                 68.2598(8)
_cell_angle_gamma                74.9384(8)
_cell_formula_units_Z            2
_cell_length_a                   10.1483(2)
_cell_length_b                   10.7260(2)
_cell_length_c                   12.8232(3)
_cell_measurement_temperature    150
_cell_volume                     1250.5
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.183
_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_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        ' C21 H39 N1 O7 Si1 '
_cod_database_code               4020512
A Noncarbohydrate Based Approach to Polyhydroxylated Pyrrolidizines: Total Syntheses of the Natural Products Hyacinthacine A~1~ and 1-Epiaustraline
Timothy J. Donohoe; Herman O. Sintim; Jackie Hollinshead; Journal of Organic Chemistry 70 (2005) 7297–7304; doi:10.1021/jo050977s

data_4020513
_publ_section_title
;
 A Noncarbohydrate Based Approach to Polyhydroxylated
 Pyrrolidizines: Total Syntheses of the Natural Products
 Hyacinthacine A~1~ and 1-Epiaustraline
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              7297
_journal_page_last               7304
_journal_paper_doi               10.1021/jo050977s
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         ' C22 H41 N1 O6 Si1 '
_chemical_formula_sum            'C22 H41 N O6 Si'
_chemical_formula_weight         443.66
_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                72.988(2)
_cell_angle_beta                 85.3368(19)
_cell_angle_gamma                80.459(4)
_cell_formula_units_Z            2
_cell_length_a                   7.9433(4)
_cell_length_b                   11.9029(6)
_cell_length_c                   14.8840(9)
_cell_measurement_temperature    150
_cell_volume                     1326.3
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.111
_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        ' C22 H41 N1 O6 Si1 '
_cod_database_code               4020513
Silylcuprates from Allene and Their Reaction with α,β-Unsaturated Nitriles and Imines. Synthesis of Silylated Oxo Compounds Leading to Cyclopentane and Cycloheptane Ring Formation
Asunción Barbero; Yolanda Blanco; Francisco J. Pulido; Journal of Organic Chemistry 70 (2005) 6876–6883; doi:10.1021/jo0509814

data_4020514
_publ_section_title
;
 Silylcuprates from Allene and Their Reaction with
 \a,\b-Unsaturated Nitriles and Imines.
 Synthesis of Silylated Oxo Compounds Leading to
 Cyclopentane and Cycloheptane Ring Formation
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              6876
_journal_page_last               6883
_journal_paper_doi               10.1021/jo0509814
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C22 H28 O Si'
_chemical_formula_weight         336.53
_space_group_IT_number           33
_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            8
_cell_length_a                   9.164(2)
_cell_length_b                   13.079(4)
_cell_length_c                   34.400(9)
_cell_measurement_temperature    293(2)
_cell_volume                     4122.8(19)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.084
_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               4020514
Acid-Catalyzed Transannular Cyclization of 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones and Some Proposed Mechanisms
Takuya Koizumi; Kenji Harada; Haruyasu Asahara; Eiko Mochizuki; Ken Kokubo; Takumi Oshima; Journal of Organic Chemistry 70 (2005) 8364–8371; doi:10.1021/jo050992x

data_4020516
_publ_section_title
;
 Acid-Catalyzed Transannular Cyclization of
 3aH-Cyclopentene[8]annulene-1,4-(5H,9aH)-diones
 and Some Proposed Mechanisms
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              8364
_journal_page_last               8371
_journal_paper_doi               10.1021/jo050992x
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C35 H28 O2'
_chemical_formula_sum            'C35 H28 O2'
_chemical_formula_weight         480.61
_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
_cell_angle_beta                 102.98(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   27.38(5)
_cell_length_b                   8.847(12)
_cell_length_c                   22.82(4)
_cell_measurement_temperature    293.1
_cell_volume                     5386.9(13)
_exptl_crystal_density_diffrn    1.185
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4020516