LMucko/crystallography-open-database huggingface dataset:
Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes
Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao; Journal of Organic Chemistry 69 (2004) 3517–3525; doi:10.1021/jo049902z

data_4020993
_publ_section_title
;
 Zn(II)-Induced Ground-State \p-Deconjugation and
 Excited-State Electron Transfer in
 N,N-Bis(2-pyridyl)amino-Substituted Arenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3517
_journal_page_last               3525
_journal_paper_doi               10.1021/jo049902z
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C17 H12 Cl2 N4 Zn'
_chemical_formula_weight         408.58
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c 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                   13.6939(8)
_cell_length_b                   12.8453(7)
_cell_length_c                   20.2516(12)
_cell_measurement_temperature    297(2)
_cell_volume                     3562.3(4)
_diffrn_ambient_temperature      297(2)
_exptl_crystal_density_diffrn    1.524
_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               4020993
Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes
Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao; Journal of Organic Chemistry 69 (2004) 3517–3525; doi:10.1021/jo049902z

data_4020994
_publ_section_title
;
 Zn(II)-Induced Ground-State \p-Deconjugation and
 Excited-State Electron Transfer in
 N,N-Bis(2-pyridyl)amino-Substituted Arenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3517
_journal_page_last               3525
_journal_paper_doi               10.1021/jo049902z
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C17 H15 Cl2 N3 O Zn'
_chemical_formula_weight         413.59
_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                 119.1840(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.3511(12)
_cell_length_b                   12.8237(7)
_cell_length_c                   14.7555(8)
_cell_measurement_temperature    294(2)
_cell_volume                     3527.2(3)
_diffrn_ambient_temperature      294(2)
_exptl_crystal_density_diffrn    1.558
_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               4020994
Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes
Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao; Journal of Organic Chemistry 69 (2004) 3517–3525; doi:10.1021/jo049902z

data_4020995
_publ_section_title
;
 Zn(II)-Induced Ground-State \p-Deconjugation and
 Excited-State Electron Transfer in
 N,N-Bis(2-pyridyl)amino-Substituted Arenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3517
_journal_page_last               3525
_journal_paper_doi               10.1021/jo049902z
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C16 H12 Cl2 N4 O2 Zn'
_chemical_formula_weight         428.57
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c 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                   13.6610(17)
_cell_length_b                   12.4381(16)
_cell_length_c                   20.720(3)
_cell_measurement_temperature    294(2)
_cell_volume                     3520.7(8)
_diffrn_ambient_temperature      294(2)
_exptl_crystal_density_diffrn    1.617
_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               4020995
Zn(II)-Induced Ground-State π-Deconjugation and Excited-State Electron Transfer in N,N-Bis(2-pyridyl)amino-Substituted Arenes
Jye-Shane Yang; Yan-Duo Lin; Yu-Hsi Lin; Fen-Ling Liao; Journal of Organic Chemistry 69 (2004) 3517–3525; doi:10.1021/jo049902z

data_4020996
_publ_section_title
;
 Zn(II)-Induced Ground-State \p-Deconjugation and
 Excited-State Electron Transfer in
 N,N-Bis(2-pyridyl)amino-Substituted Arenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              3517
_journal_page_last               3525
_journal_paper_doi               10.1021/jo049902z
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C37 H30 N4'
_chemical_formula_weight         530.65
_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                   11.4912(5)
_cell_length_b                   16.0724(7)
_cell_length_c                   30.9077(14)
_cell_measurement_temperature    295(2)
_cell_volume                     5708.4(4)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.235
_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               4020996
Novel Routes to Chiral 2-Alkoxy-5-/6- methoxycarbonylmethylidenepyrrolidines/-piperidines
Olivier David; Sandrine Calvet; François Chau; Corinne Vanucci-Bacqué; Marie-Claude Fargeau-Bellassoued; Gérard Lhommet; Journal of Organic Chemistry 69 (2004) 2888–2891; doi:10.1021/jo049961c

data_4020997
_publ_section_title
;
 Novel Routes to Chiral
 2-Alkoxy-5-/6- methoxycarbonylmethylidenepyrrolidines/-piperidines
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              2888
_journal_page_last               2891
_journal_paper_doi               10.1021/jo049961c
_journal_volume                  69
_journal_year                    2004
_chemical_absolute_configuration syn
_chemical_formula_moiety         ' C15 H18 N1 O3 '
_chemical_formula_sum            'C15 H18 N O3'
_chemical_formula_weight         260.31
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.681(5)
_cell_length_b                   8.355(3)
_cell_length_c                   28.935(13)
_cell_measurement_temperature    295
_cell_volume                     1373(1)
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    1.259
_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_original_sg_symbol_H-M      'P 21 21 21 '
_cod_original_formula_sum        ' C15 H18 N1 O3 '
_cod_database_code               4020997
Novel Routes to Chiral 2-Alkoxy-5-/6- methoxycarbonylmethylidenepyrrolidines/-piperidines
Olivier David; Sandrine Calvet; François Chau; Corinne Vanucci-Bacqué; Marie-Claude Fargeau-Bellassoued; Gérard Lhommet; Journal of Organic Chemistry 69 (2004) 2888–2891; doi:10.1021/jo049961c

data_4020998
_publ_section_title
;
 Novel Routes to Chiral
 2-Alkoxy-5-/6- methoxycarbonylmethylidenepyrrolidines/-piperidines
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              2888
_journal_page_last               2891
_journal_paper_doi               10.1021/jo049961c
_journal_volume                  69
_journal_year                    2004
_chemical_absolute_configuration syn
_chemical_formula_moiety         ' C16 H20 N1 O3 '
_chemical_formula_sum            'C16 H20 N O3'
_chemical_formula_weight         274.34
_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                 91.09
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.300(1)
_cell_length_b                   8.545(3)
_cell_length_c                   15.757(6)
_cell_measurement_temperature    295
_cell_volume                     713.5(4)
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    1.272
_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_original_formula_sum        ' C16 H20 N1 O3 '
_cod_database_code               4020998
Novel Routes to Chiral 2-Alkoxy-5-/6- methoxycarbonylmethylidenepyrrolidines/-piperidines
Olivier David; Sandrine Calvet; François Chau; Corinne Vanucci-Bacqué; Marie-Claude Fargeau-Bellassoued; Gérard Lhommet; Journal of Organic Chemistry 69 (2004) 2888–2891; doi:10.1021/jo049961c

data_4020999
_publ_section_title
;
 Novel Routes to Chiral
 2-Alkoxy-5-/6- methoxycarbonylmethylidenepyrrolidines/-piperidines
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              2888
_journal_page_last               2891
_journal_paper_doi               10.1021/jo049961c
_journal_volume                  69
_journal_year                    2004
_chemical_absolute_configuration syn
_chemical_formula_moiety         ' C16 H20 N1 O3 '
_chemical_formula_sum            'C16 H20 N O3'
_chemical_formula_weight         274.34
_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                 98.84
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.866(2)
_cell_length_b                   8.248(2)
_cell_length_c                   15.308(4)
_cell_measurement_temperature    295
_cell_volume                     731.9(4)
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    1.245
_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_original_formula_sum        ' C16 H20 N1 O3 '
_cod_database_code               4020999
Selective Preparation of Oxygen-Rich [60]Fullerene Derivatives by Stepwise Addition of tert-Butylperoxy Radical and Further Functionalization of the Fullerene Mixed Peroxides
Shaohua Huang; Zuo Xiao; Fudong Wang; Liangbing Gan; Xiang Zhang; Xiangqing Hu; Shiwei Zhang; Mujian Lu; Qinqi Pan; Li Xu; Journal of Organic Chemistry 69 (2004) 2442–2453; doi:10.1021/jo049974q

data_4021000
_publ_section_title
;
 Selective Preparation of Oxygen-Rich [60]Fullerene
 Derivatives by Stepwise Addition of tert-Butylperoxy Radical
 and Further Functionalization of the Fullerene Mixed Peroxides
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              2442
_journal_page_last               2453
_journal_paper_doi               10.1021/jo049974q
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C72.5 H32 O11 S'
_chemical_formula_weight         1111.04
_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                98.93(3)
_cell_angle_beta                 96.53(3)
_cell_angle_gamma                105.99(3)
_cell_formula_units_Z            2
_cell_length_a                   10.124(2)
_cell_length_b                   10.340(2)
_cell_length_c                   23.975(5)
_cell_measurement_temperature    293(2)
_cell_volume                     2350.9(8)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.570
_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        'C72.50 H32 O11 S'
_cod_database_code               4021000
t-BuOK-Mediated Hydrophosphination of Functionalized Alkenes: A Novel Synthesis of Chiral P,N- and P,P-Ligands
Tanasri Bunlaksananusorn; Paul Knochel; Journal of Organic Chemistry 69 (2004) 4595–4601; doi:10.1021/jo030383u

data_4021001
_publ_section_title
;
 t-BuOK-Mediated Hydrophosphination of Functionalized Alkenes:
 A Novel Synthesis of Chiral P,N- and P,P-Ligands
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4595
_journal_page_last               4601
_journal_paper_doi               10.1021/jo030383u
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C27 H30 N O P'
_chemical_formula_weight         415.49
_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                 103.508(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.438(2)
_cell_length_b                   12.0630(14)
_cell_length_c                   10.7010(9)
_cell_measurement_temperature    293(2)
_cell_volume                     1184.6(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.165
_refine_ls_R_factor_obs          0.0387
_refine_ls_wR_factor_obs         0.0970
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4021001
t-BuOK-Mediated Hydrophosphination of Functionalized Alkenes: A Novel Synthesis of Chiral P,N- and P,P-Ligands
Tanasri Bunlaksananusorn; Paul Knochel; Journal of Organic Chemistry 69 (2004) 4595–4601; doi:10.1021/jo030383u

data_4021002
_publ_section_title
;
 t-BuOK-Mediated Hydrophosphination of Functionalized Alkenes:
 A Novel Synthesis of Chiral P,N- and P,P-Ligands
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4595
_journal_page_last               4601
_journal_paper_doi               10.1021/jo030383u
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C32 H32 N O P'
_chemical_formula_weight         477.56
_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                105.86(2)
_cell_angle_beta                 92.166(15)
_cell_angle_gamma                113.13(2)
_cell_formula_units_Z            2
_cell_length_a                   10.856(2)
_cell_length_b                   11.450(2)
_cell_length_c                   12.027(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1304.6(4)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.216
_refine_ls_R_factor_obs          0.0509
_refine_ls_wR_factor_obs         0.1054
_cod_database_code               4021002
t-BuOK-Mediated Hydrophosphination of Functionalized Alkenes: A Novel Synthesis of Chiral P,N- and P,P-Ligands
Tanasri Bunlaksananusorn; Paul Knochel; Journal of Organic Chemistry 69 (2004) 4595–4601; doi:10.1021/jo030383u

data_4021003
_publ_section_title
;
 t-BuOK-Mediated Hydrophosphination of Functionalized Alkenes:
 A Novel Synthesis of Chiral P,N- and P,P-Ligands
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4595
_journal_page_last               4601
_journal_paper_doi               10.1021/jo030383u
_journal_volume                  69
_journal_year                    2004
_chemical_formula_sum            'C30 H32 O4 P2'
_chemical_formula_weight         518.50
_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                   8.105(4)
_cell_length_b                   8.729(2)
_cell_length_c                   37.158(12)
_cell_measurement_temperature    295(2)
_cell_volume                     2628.9(17)
_diffrn_ambient_temperature      295(2)
_exptl_crystal_density_diffrn    1.310
_refine_ls_R_factor_obs          0.0420
_refine_ls_wR_factor_obs         0.1061
_cod_database_code               4021003
Highly Diastereoselective Mannich-Type Reactions of Chiral N-Acylhydrazones
Mikkel Fog Jakobsen; Liviu Ionita; Troels Skrydstrup; Journal of Organic Chemistry 69 (2004) 4792–4796; doi:10.1021/jo0358170

data_4021004
_publ_section_title
;
 Highly Diastereoselective Mannich-Type Reactions
 of Chiral N-Acylhydrazones
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4792
_journal_page_last               4796
_journal_paper_doi               10.1021/jo0358170
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C20 H28 N2 O6'
_chemical_formula_sum            'C20 H28 N2 O6'
_chemical_formula_weight         392.46
_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_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   6.5307(7)
_cell_length_b                   14.195(2)
_cell_length_c                   22.832(3)
_cell_measurement_temperature    300
_cell_volume                     2116.7(4)
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    1.231
_cod_depositor_comments
;
The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 28 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4021004
Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids
Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima; Journal of Organic Chemistry 69 (2004) 4577–4585; doi:10.1021/jo035830k

data_4021005
_publ_section_title
;
 Mechanism of Novel Consecutive Rearrangements
 of Cyclobutene-Fused Diphenylhomobenzoquinones
 Catalyzed by Lewis Acids
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4577
_journal_page_last               4585
_journal_paper_doi               10.1021/jo035830k
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C30 H26 O2'
_chemical_formula_sum            'C30 H26 O2'
_chemical_formula_weight         418.53
_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
_cell_angle_beta                 104.229(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.3309(1)
_cell_length_b                   9.4105(1)
_cell_length_c                   18.7703(4)
_cell_measurement_temperature    213.2
_cell_volume                     2282.51(7)
_exptl_crystal_density_diffrn    1.218
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4021005
Mechanism of Novel Consecutive Rearrangements of Cyclobutene-Fused Diphenylhomobenzoquinones Catalyzed by Lewis Acids
Takuya Koizumi; Eiko Mochizuki; Ken Kokubo; Takumi Oshima; Journal of Organic Chemistry 69 (2004) 4577–4585; doi:10.1021/jo035830k

data_4021006
_publ_section_title
;
 Mechanism of Novel Consecutive Rearrangements
 of Cyclobutene-Fused Diphenylhomobenzoquinones
 Catalyzed by Lewis Acids
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4577
_journal_page_last               4585
_journal_paper_doi               10.1021/jo035830k
_journal_volume                  69
_journal_year                    2004
_chemical_formula_moiety         'C30 H26 O2 '
_chemical_formula_sum            'C30 H26 O2'
_chemical_formula_weight         418.53
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.205(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.644(1)
_cell_length_b                   12.974(1)
_cell_length_c                   14.0462(9)
_cell_measurement_temperature    296.2
_cell_volume                     2274.4(3)
_exptl_crystal_density_diffrn    1.222
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               4021006