LMucko/crystallography-open-database huggingface dataset:
Static and Dynamic Stereochemistry of the Conformational Atropisomers of Tetra(o-tolyl)benzene
Lodovico Lunazzi; Andrea Mazzanti; Mirko Minzoni; Journal of Organic Chemistry 70 (2005) 10062–10066; doi:10.1021/jo051783f

data_4020748
_publ_section_title
;
 Static and Dynamic Stereochemistry of the Conformational
 Atropisomers of Tetra(o-tolyl)benzene
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10062
_journal_page_last               10066
_journal_paper_doi               10.1021/jo051783f
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C34 H30'
_chemical_formula_sum            'C34 H30'
_chemical_formula_weight         438.58
_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                 99.290(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.3626(16)
_cell_length_b                   8.8591(13)
_cell_length_c                   13.0108(19)
_cell_measurement_temperature    273(2)
_cell_volume                     1292.5(3)
_diffrn_ambient_temperature      273(2)
_exptl_crystal_density_diffrn    1.127
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4020748
Conjugate Additions of Me~2~CuLi to Enantiopure γ-Hydroxy-δ-sulfinyl and Sulfonyl Pentenoates
M. Carmen Carreño; M. Jesús Sanz-Cuesta; Journal of Organic Chemistry 70 (2005) 10036–10045; doi:10.1021/jo051788c

data_4020749
_publ_section_title
;
 Conjugate Additions of Me~2~CuLi to Enantiopure
 \g-Hydroxy-\d-sulfinyl and Sulfonyl Pentenoates
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10036
_journal_page_last               10045
_journal_paper_doi               10.1021/jo051788c
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C13 H16 O3 S'
_chemical_formula_weight         252.32
_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                   5.27190(10)
_cell_length_b                   8.02290(10)
_cell_length_c                   30.5228(3)
_cell_measurement_temperature    296(2)
_cell_volume                     1290.99(3)
_diffrn_ambient_temperature      296(2)
_exptl_crystal_density_diffrn    1.298
_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               4020749
Asymmetric Total Synthesis of the 1-epi-Aglycon of the Cripowellins A and B
Dieter Enders; Achim Lenzen; Michael Backes; Carsten Janeck; Kelly Catlin; Marie-Isabelle Lannou; Jan Runsink; Gerhard Raabe; Journal of Organic Chemistry 70 (2005) 10538–10551; doi:10.1021/jo0518093

data_4020750
_publ_section_title
;
 Asymmetric Total Synthesis of the 1-epi-Aglycon
 of the Cripowellins A and B
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10538
_journal_page_last               10551
_journal_paper_doi               10.1021/jo0518093
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C20 H21 N O8'
_chemical_formula_weight         403.39
_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                90.00000
_cell_angle_beta                 106.44(9)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            2
_cell_length_a                   9.37(2)
_cell_length_b                   6.782(3)
_cell_length_c                   15.72(3)
_cell_measurement_temperature    150
_cell_volume                     958(3)
_exptl_crystal_density_diffrn    1.398
_reflns_Friedel_coverage         .788
_cod_original_sg_symbol_Hall     p_2y1
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C20 H21 N1 O8'
_cod_database_code               4020750
Facile Synthesis, Structure, and Properties of Benzo[1,2-b:4,5-b']dichalcogenophenes
Kazuo Takimiya; Yasushi Konda; Hideaki Ebata; Naoto Niihara; Tetsuo Otsubo; Journal of Organic Chemistry 70 (2005) 10569–10571; doi:10.1021/jo051812m

data_4020751
_publ_section_title
;
 Facile Synthesis, Structure, and Properties of
 Benzo[1,2-b:4,5-b']dichalcogenophenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10569
_journal_page_last               10571
_journal_paper_doi               10.1021/jo051812m
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C10 H6 S2 '
_chemical_formula_sum            'C10 H6 S2'
_chemical_formula_weight         190.28
_chemical_melting_point          200.0(10)
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                98.06(3)
_cell_angle_beta                 100.15(3)
_cell_angle_gamma                91.75(3)
_cell_formula_units_Z            2
_cell_length_a                   5.842(2)
_cell_length_b                   7.803(2)
_cell_length_c                   9.580(5)
_cell_measurement_temperature    298.2
_cell_volume                     425.0(3)
_exptl_crystal_density_diffrn    1.487
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '199-201' was changed to '200.0(10)'
- the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C10 H6 S2 '
_cod_database_code               4020751
Facile Synthesis, Structure, and Properties of Benzo[1,2-b:4,5-b']dichalcogenophenes
Kazuo Takimiya; Yasushi Konda; Hideaki Ebata; Naoto Niihara; Tetsuo Otsubo; Journal of Organic Chemistry 70 (2005) 10569–10571; doi:10.1021/jo051812m

data_4020752
_publ_section_title
;
 Facile Synthesis, Structure, and Properties of
 Benzo[1,2-b:4,5-b']dichalcogenophenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10569
_journal_page_last               10571
_journal_paper_doi               10.1021/jo051812m
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C10 H6 Se2 '
_chemical_formula_sum            'C10 H6 Se2'
_chemical_formula_weight         284.08
_chemical_melting_point          256.0(10)
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.41(1)
_cell_angle_beta                 101.48(1)
_cell_angle_gamma                91.567(9)
_cell_formula_units_Z            2
_cell_length_a                   5.7985(6)
_cell_length_b                   7.9434(8)
_cell_length_c                   9.864(1)
_cell_measurement_temperature    298.2
_cell_volume                     440.87(9)
_exptl_crystal_density_diffrn    2.140
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '255-257' was changed to '256.0(10)'
- the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C10 H6 Se2 '
_cod_database_code               4020752
Facile Synthesis, Structure, and Properties of Benzo[1,2-b:4,5-b']dichalcogenophenes
Kazuo Takimiya; Yasushi Konda; Hideaki Ebata; Naoto Niihara; Tetsuo Otsubo; Journal of Organic Chemistry 70 (2005) 10569–10571; doi:10.1021/jo051812m

data_4020753
_publ_section_title
;
 Facile Synthesis, Structure, and Properties of
 Benzo[1,2-b:4,5-b']dichalcogenophenes
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10569
_journal_page_last               10571
_journal_paper_doi               10.1021/jo051812m
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C10 H6 Te2 '
_chemical_formula_sum            'C10 H6 Te2'
_chemical_formula_weight         381.36
_chemical_melting_point          284.0(10)
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                95.85(2)
_cell_angle_beta                 102.59(2)
_cell_angle_gamma                91.30(2)
_cell_formula_units_Z            2
_cell_length_a                   5.822(2)
_cell_length_b                   8.122(2)
_cell_length_c                   10.292(3)
_cell_measurement_temperature    298.2
_cell_volume                     472.0(2)
_exptl_crystal_density_diffrn    2.683
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '283-285' was changed to '284.0(10)'
- the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C10 H6 Te2 '
_cod_database_code               4020753
Intramolecular Ene Reaction of Epoxyallylsilanes: Synthesis of Allyl- and Vinylsilane-Functionalized Cyclohexanols
Asunción Barbero; Pilar Castreño; Gloria Fernández; Francisco J. Pulido; Journal of Organic Chemistry 70 (2005) 10747–10752; doi:10.1021/jo051868g

data_4020754
_publ_section_title
;
 Intramolecular Ene Reaction of Epoxyallylsilanes:
 Synthesis of Allyl- and Vinylsilane-Functionalized Cyclohexanols
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10747
_journal_page_last               10752
_journal_paper_doi               10.1021/jo051868g
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C26 H36 O Si'
_chemical_formula_weight         392.64
_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                71.918(3)
_cell_angle_beta                 78.502(3)
_cell_angle_gamma                80.289(3)
_cell_formula_units_Z            2
_cell_length_a                   10.096(2)
_cell_length_b                   10.316(2)
_cell_length_c                   12.523(3)
_cell_measurement_temperature    299(2)
_cell_volume                     1207.0(5)
_diffrn_ambient_temperature      299(2)
_exptl_crystal_density_diffrn    1.080
_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               4020754
Diastereoselective Ring-Closing Metathesis: Synthesis of P-Stereogenic Phosphinates from Prochiral Phosphinic Acid Derivatives
Katherine S. Dunne; Fabrice Bisaro; Barbara Odell; Jean-Marc Paris; Véronique Gouverneur; Journal of Organic Chemistry 70 (2005) 10803–10809; doi:10.1021/jo0518708

data_4020755
_publ_section_title
;
 Diastereoselective Ring-Closing Metathesis:
 Synthesis of P-Stereogenic Phosphinates from
 Prochiral Phosphinic Acid Derivatives
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10803
_journal_page_last               10809
_journal_paper_doi               10.1021/jo0518708
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         ' C13 H15 O2 P '
_chemical_formula_sum            'C13 H15 O2 P'
_chemical_formula_weight         234.23
_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                 113.0678(12)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.8070(3)
_cell_length_b                   9.6599(3)
_cell_length_c                   12.5622(4)
_cell_measurement_temperature    150
_cell_volume                     1206.57(6)
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.289
_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        ' C13 H15 O2 P '
_cod_database_code               4020755
Diastereoselective Ring-Closing Metathesis: Synthesis of P-Stereogenic Phosphinates from Prochiral Phosphinic Acid Derivatives
Katherine S. Dunne; Fabrice Bisaro; Barbara Odell; Jean-Marc Paris; Véronique Gouverneur; Journal of Organic Chemistry 70 (2005) 10803–10809; doi:10.1021/jo0518708

data_4020756
_publ_section_title
;
 Diastereoselective Ring-Closing Metathesis:
 Synthesis of P-Stereogenic Phosphinates from
 Prochiral Phosphinic Acid Derivatives
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10803
_journal_page_last               10809
_journal_paper_doi               10.1021/jo0518708
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         ' C13 H15 O2 P1 '
_chemical_formula_sum            'C13 H15 O2 P'
_chemical_formula_weight         234.23
_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                 110.8144(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.4409(2)
_cell_length_b                   10.4204(2)
_cell_length_c                   12.9663(3)
_cell_measurement_temperature    150
_cell_volume                     1192.35(4)
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.305
_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        ' C13 H15 O2 P1 '
_cod_database_code               4020756
Diastereoselective Ring-Closing Metathesis: Synthesis of P-Stereogenic Phosphinates from Prochiral Phosphinic Acid Derivatives
Katherine S. Dunne; Fabrice Bisaro; Barbara Odell; Jean-Marc Paris; Véronique Gouverneur; Journal of Organic Chemistry 70 (2005) 10803–10809; doi:10.1021/jo0518708

data_4020757
_publ_section_title
;
 Diastereoselective Ring-Closing Metathesis:
 Synthesis of P-Stereogenic Phosphinates from
 Prochiral Phosphinic Acid Derivatives
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10803
_journal_page_last               10809
_journal_paper_doi               10.1021/jo0518708
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         ' C18 H17 O2 P1 '
_chemical_formula_sum            'C18 H17 O2 P'
_chemical_formula_weight         296.31
_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                 98.2735(7)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   29.4897(5)
_cell_length_b                   5.6348(2)
_cell_length_c                   18.6928(3)
_cell_measurement_temperature    150
_cell_volume                     3073.83(13)
_diffrn_ambient_temperature      150
_exptl_crystal_density_diffrn    1.280
_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        ' C18 H17 O2 P1 '
_cod_database_code               4020757
Optically Pure Calix[6]tris-ammoniums: Syntheses and Host-Guest Properties toward Neutral Guests
Ulrich Darbost; Xianshun Zeng; Michel Giorgi; Ivan Jabin; Journal of Organic Chemistry 70 (2005) 10552–10560; doi:10.1021/jo051886y

data_4020758
_publ_section_title
;
 Optically Pure Calix[6]tris-ammoniums: Syntheses and
 Host-Guest Properties toward Neutral Guests
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10552
_journal_page_last               10560
_journal_paper_doi               10.1021/jo051886y
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C93 H123 F9 N4 O12.5'
_chemical_formula_weight         1667.96
_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                   18.9165(2)
_cell_length_b                   19.0923(3)
_cell_length_c                   26.6298(5)
_cell_measurement_temperature    223(2)
_cell_volume                     9617.6(3)
_diffrn_ambient_temperature      223(2)
_exptl_crystal_density_diffrn    1.152
_refine_diff_density_rms         0.053
_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               4020758
Lewis Base Catalyzed Aldol Additions of Chiral Trichlorosilyl Enolates and Silyl Enol Ethers
Scott E. Denmark; Shinji Fujimori; Son M. Pham; Journal of Organic Chemistry 70 (2005) 10823–10840; doi:10.1021/jo051930+

data_4020759
_publ_section_title
;
 Lewis Base Catalyzed Aldol Additions of Chiral
 Trichlorosilyl Enolates and Silyl Enol Ethers
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10823
_journal_page_last               10840
_journal_paper_doi               10.1021/jo051930+
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C12 H16 O3'
_chemical_formula_weight         208.25
_chemical_melting_point          58
_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                 110.988(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.931(2)
_cell_length_b                   5.4806(12)
_cell_length_c                   11.847(3)
_cell_measurement_temperature    193(2)
_cell_volume                     541.4(2)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.277
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4020759
Lewis Base Catalyzed Aldol Additions of Chiral Trichlorosilyl Enolates and Silyl Enol Ethers
Scott E. Denmark; Shinji Fujimori; Son M. Pham; Journal of Organic Chemistry 70 (2005) 10823–10840; doi:10.1021/jo051930+

data_4020760
_publ_section_title
;
 Lewis Base Catalyzed Aldol Additions of Chiral
 Trichlorosilyl Enolates and Silyl Enol Ethers
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10823
_journal_page_last               10840
_journal_paper_doi               10.1021/jo051930+
_journal_volume                  70
_journal_year                    2005
_chemical_formula_sum            'C12 H16 O3'
_chemical_formula_weight         208.25
_chemical_melting_point          88
_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                 102.478(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.1869(9)
_cell_length_b                   5.0160(5)
_cell_length_c                   10.8921(10)
_cell_measurement_temperature    193(2)
_cell_volume                     543.41(9)
_diffrn_ambient_temperature      193(2)
_exptl_crystal_density_diffrn    1.273
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4020760
Nitrile Anion Cyclization with Epoxysilanes Followed by Brook Rearrangement/Ring-Opening of Cyclopropane Nitriles/Alkylation
Seigo Okugawa; Hyuma Masu; Kentaro Yamaguchi; Kei Takeda; Journal of Organic Chemistry 70 (2005) 10515–10523; doi:10.1021/jo0519413

data_4020761
_publ_section_title
;
 Nitrile Anion Cyclization with Epoxysilanes
 Followed by Brook Rearrangement/Ring-Opening
 of Cyclopropane Nitriles/Alkylation
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              10515
_journal_page_last               10523
_journal_paper_doi               10.1021/jo0519413
_journal_volume                  70
_journal_year                    2005
_chemical_formula_moiety         'C12 H20 N2 O Si '
_chemical_formula_sum            'C12 H20 N2 O Si'
_chemical_formula_weight         236.39
_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                 107.072(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.120(7)
_cell_length_b                   6.607(2)
_cell_length_c                   12.804(5)
_cell_measurement_temperature    300.2
_cell_volume                     1465.4(9)
_exptl_crystal_density_diffrn    1.071
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C12 H20 N2 O Si '
_cod_database_code               4020761