LMucko/crystallography-open-database huggingface dataset:
Hydrogen Bond Mediated Open-frame Networks in Coordination Polymers: Supramolecular Assemblies of Pr(III) and 3,5-Dinitro-4-methylbenzoic Acid with Aza-donor Compounds
V. Pedireddi; Sunil Varughese; Chemical Communications  (2005) –; doi:10.1039/b417754a

data_7100359
_publ_section_title
;
Hydrogen Bond Mediated Open-frame Networks in
Coordination Polymers: Supramolecular Assemblies of Pr(III) and
3,5-Dinitro-4-methylbenzoic Acid with Aza-donor Compounds
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b417754a
_journal_year                    2005
_chemical_formula_moiety         '[Pr(C8H5N2O6)3(H2O)2].(C10H8N2)'
_chemical_formula_sum            'C34 H27 N8 O20 Pr'
_chemical_formula_weight         1008.55
_chemical_name_common
;
Bisacqua-mono-(4,4'-bipyridyl)-tris-(3,5-dinitro-4-
methylbenzoato) Praseodymium(iii) complex
;
_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                72.01(9)
_cell_angle_beta                 82.90(9)
_cell_angle_gamma                83.15(9)
_cell_formula_units_Z            2
_cell_length_a                   9.774(4)
_cell_length_b                   12.721(6)
_cell_length_c                   16.355(7)
_cell_measurement_temperature    298(2)
_cell_volume                     1912.2(18)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.752
_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               7100359
Hydrogen Bond Mediated Open-frame Networks in Coordination Polymers: Supramolecular Assemblies of Pr(III) and 3,5-Dinitro-4-methylbenzoic Acid with Aza-donor Compounds
V. Pedireddi; Sunil Varughese; Chemical Communications  (2005) –; doi:10.1039/b417754a

data_7100360
_publ_section_title
;
Hydrogen Bond Mediated Open-frame Networks in
Coordination Polymers: Supramolecular Assemblies of Pr(III) and
3,5-Dinitro-4-methylbenzoic Acid with Aza-donor Compounds
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b417754a
_journal_year                    2005
_chemical_formula_moiety         '[Pr(C8H5N2O6)3(H2O)2].0.5(C12H10N2).2(H2O)'
_chemical_formula_sum            'C30 H28 N7 O22 Pr'
_chemical_formula_weight         979.50
_chemical_name_common
;
Tetraacqa-hemi-(1,2-bis(4-pyridyl)ethene-tris-(3,5-dinitro-4-
methyl benzoato) Praseodymium(iii) complex
;
_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                72.28(2)
_cell_angle_beta                 79.06(2)
_cell_angle_gamma                79.72(2)
_cell_formula_units_Z            2
_cell_length_a                   9.510(9)
_cell_length_b                   12.669(9)
_cell_length_c                   16.430(2)
_cell_measurement_temperature    298(2)
_cell_volume                     1836(2)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.772
_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               7100360
Hydrogen Bond Mediated Open-frame Networks in Coordination Polymers: Supramolecular Assemblies of Pr(III) and 3,5-Dinitro-4-methylbenzoic Acid with Aza-donor Compounds
V. Pedireddi; Sunil Varughese; Chemical Communications  (2005) –; doi:10.1039/b417754a

data_7100361
_publ_section_title
;
Hydrogen Bond Mediated Open-frame Networks in
Coordination Polymers: Supramolecular Assemblies of Pr(III) and
3,5-Dinitro-4-methylbenzoic Acid with Aza-donor Compounds
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b417754a
_journal_year                    2005
_chemical_formula_moiety         '[Pr(C8H5N2O6)3(H2O)2].0.5(C12H12N2).2(H2O)'
_chemical_formula_sum            'C30 H29 N7 O22 Pr'
_chemical_formula_weight         980.51
_chemical_name_common
;
Tetraacqua-hemi-(1,2-bis(4-pyridyl)ethane)-tris-3,5-dinitro-4-
methyl benzoato Praseodymium(iii) complex
;
_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                72.21(2)
_cell_angle_beta                 78.98(3)
_cell_angle_gamma                79.84(2)
_cell_formula_units_Z            2
_cell_length_a                   9.517(2)
_cell_length_b                   12.747(2)
_cell_length_c                   16.366(3)
_cell_measurement_temperature    298(2)
_cell_volume                     1840.8(6)
_diffrn_ambient_temperature      298(2)
_exptl_crystal_density_diffrn    1.769
_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               7100361
Regioselective Si-C Bond Activation in Silicon-Bridged Ansa-Cycloheptatrienyl-Cyclopentadienyl Complexes
Tamm, M.; Kunst, A.; Herdtweck, E.; Chemical Communications  (2005) –; doi:

data_7100362
_publ_section_title
;
Regioselective Si-C Bond Activation in Silicon-Bridged
Ansa-Cycloheptatrienyl-Cyclopentadienyl Complexes
;
_journal_name_full               'Chemical Communications'
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C26 H46 P2 Pt Si Ti'
_chemical_formula_sum            'C26 H46 P2 Pt Si Ti'
_chemical_formula_weight         691.61
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.8446(1)
_cell_length_b                   17.6912(1)
_cell_length_c                   20.2936(1)
_cell_measurement_temperature    123(1)
_cell_volume                     2816.35(4)
_diffrn_ambient_temperature      123(1)
_exptl_crystal_density_diffrn    1.631
_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               7100362
; Chemical Communications  (2005) –; doi:

data_7100363
_journal_name_full               'Chemical Communications'
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C26 H46 P2 Pt Si V'
_chemical_formula_sum            'C26 H46 P2 Pt Si V'
_chemical_formula_weight         694.68
_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
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.8629(1)
_cell_length_b                   17.7086(1)
_cell_length_c                   20.1938(1)
_cell_measurement_temperature    123(1)
_cell_volume                     2811.80(4)
_diffrn_ambient_temperature      123(1)
_exptl_crystal_density_diffrn    1.641
_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               7100363
Controlling diastereoselectivity in the reactions of enantiomerically pure a-bromoacyl-imidazolidinones with nitrogen nucleophiles. Substitution reactions with retention or inversion of configuration.
S. Caddick; D. Pardoe; N.R. Treweeke; Chemical Communications  (2005) –; doi:10.1039/b417954d

data_7100364
_publ_section_title
;
Controlling diastereoselectivity in the reactions of
enantiomerically pure a-bromoacyl-imidazolidinones with nitrogen
nucleophiles. Substitution reactions with retention or inversion of
configuration.
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b417954d
_journal_year                    2005
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C21 H23 Br1 N2 O2'
_chemical_formula_structural     'C21 H23 BR N2 O2'
_chemical_formula_sum            'C21 H23 Br N2 O2'
_chemical_formula_weight         415.32
_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                 108.513(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.3839(12)
_cell_length_b                   6.2094(4)
_cell_length_c                   15.9554(18)
_cell_measurement_temperature    173(2)
_cell_volume                     975.53(17)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.414
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7100364
; Chemical Communications  (2005) –; doi:10.1039/b417954d

data_7100365
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b417954d
_journal_year                    2005
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C27 H39 N3 O2'
_chemical_formula_structural     'C27 H39 N3 O2'
_chemical_formula_sum            'C28 H31 N3 O2'
_chemical_formula_weight         441.56
_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_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                   9.5902(3)
_cell_length_b                   10.3216(4)
_cell_length_c                   24.9928(10)
_cell_measurement_temperature    173(2)
_cell_measurement_wavelength     0.71073
_cell_volume                     2473.94(16)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.186
_refine_diff_density_rms         0.03
_cod_database_code               7100365
; Chemical Communications  (2005) –; doi:10.1039/b417954d

data_7100366
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b417954d
_journal_year                    2005
_chemical_absolute_configuration syn
_chemical_formula_moiety         'C21 H23 N5 O2'
_chemical_formula_structural     'C21 H23 N5 O2'
_chemical_formula_sum            'C21 H23 N5 O2'
_chemical_formula_weight         377.44
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.200(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.2790(16)
_cell_length_b                   6.0518(8)
_cell_length_c                   17.189(2)
_cell_measurement_temperature    173(2)
_cell_measurement_wavelength     0.71073
_cell_volume                     1979.7(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.266
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               7100366
Asymmetric amplification in asymmetric alternating copolymerization of cyclohexene oxide and carbon dioxide
Kyoko Nozaki; Tamejiro Hiyama; Koji Nakano; Chemical Communications  (2005) –; doi:10.1039/b417973k

data_7100367
_publ_section_title
;
Asymmetric amplification in asymmetric alternating
copolymerization of cyclohexene oxide and carbon dioxide
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b417973k
_journal_year                    2005
_chemical_formula_sum            'C19 H23 N O Zn'
_chemical_formula_weight         346.75
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 101.6860(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.1430(7)
_cell_length_b                   11.2307(6)
_cell_length_c                   12.2015(7)
_cell_measurement_temperature    130(2)
_cell_volume                     1629.48(16)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.413
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7100367
Synthesis of C2-Chiral Bifunctional Spin Labels and Their Application to Troponin C
S. Chatani; M. Nakamura; H. Akahane; N. Kohyama; M. Taki; T. Arata; Chemical Communications  (2005) –; doi:10.1039/b418016j

data_7100368
_publ_section_title
;
Synthesis of C2-Chiral Bifunctional Spin Labels and
Their Application to Troponin C
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418016j
_journal_year                    2005
_chemical_absolute_configuration rm
_chemical_formula_moiety         'C58 H60 N O9 '
_chemical_formula_sum            'C58 H60 N O9'
_chemical_formula_weight         915.11
_space_group_IT_number           20
_space_group_name_Hall           'C 2c 2'
_space_group_name_H-M_alt        'C 2 2 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      20
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.098(4)
_cell_length_b                   14.847(7)
_cell_length_c                   29.42(1)
_cell_measurement_temperature    173.1
_cell_volume                     4847(3)
_exptl_crystal_density_diffrn    1.254
_cod_original_formula_sum        'C58 H60 N O9 '
_cod_database_code               7100368
Triol protection with 6-benzoyl-3,4-dihydro-(2H)-pyran
B. Rawlings; Caroline D. L. Baker; John Fawcett; Christopher D. Insley; Derek S. Messenger; C.L.Newland; Helen L. Overend; Anup K. B. Patel; Mufakhrul Shah; Bhavna Vara; Davinder Virdee; Chemical Communications  (2005) –; doi:10.1039/b418035f

data_7100369
_publ_section_title
;
Triol protection with 6-benzoyl-3,4-dihydro-(2H)-pyran
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418035f
_journal_year                    2005
_chemical_formula_moiety         'C31 H28 N2 O12'
_chemical_formula_sum            'C31 H28 N2 O12'
_chemical_formula_weight         620.55
_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                79.04(2)
_cell_angle_beta                 79.75(1)
_cell_angle_gamma                70.44(1)
_cell_formula_units_Z            2
_cell_length_a                   10.110(2)
_cell_length_b                   11.449(2)
_cell_length_c                   14.007(3)
_cell_measurement_temperature    190(2)
_cell_volume                     1488.4(5)
_diffrn_ambient_temperature      190(2)
_exptl_crystal_density_diffrn    1.385
_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               7100369
Triol protection with 6-benzoyl-3,4-dihydro-(2H)-pyran
B. Rawlings; Caroline D. L. Baker; John Fawcett; Christopher D. Insley; Derek S. Messenger; C.L.Newland; Helen L. Overend; Anup K. B. Patel; Mufakhrul Shah; Bhavna Vara; Davinder Virdee; Chemical Communications  (2005) –; doi:10.1039/b418035f

data_7100370
_publ_section_title
;
Triol protection with 6-benzoyl-3,4-dihydro-(2H)-pyran
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418035f
_journal_year                    2005
_chemical_formula_sum            'C15 H18 O4'
_chemical_formula_weight         262.29
_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            8
_cell_length_a                   8.5600(16)
_cell_length_b                   12.140(2)
_cell_length_c                   25.374(5)
_cell_measurement_temperature    150(2)
_cell_volume                     2636.8(8)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.321
_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               7100370
Triol protection with 6-benzoyl-3,4-dihydro-(2H)-pyran
B. Rawlings; Caroline D. L. Baker; John Fawcett; Christopher D. Insley; Derek S. Messenger; C.L.Newland; Helen L. Overend; Anup K. B. Patel; Mufakhrul Shah; Bhavna Vara; Davinder Virdee; Chemical Communications  (2005) –; doi:10.1039/b418035f

data_7100371
_publ_section_title
;
Triol protection with 6-benzoyl-3,4-dihydro-(2H)-pyran
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418035f
_journal_year                    2005
_chemical_formula_sum            'C33 H30 N2 O14'
_chemical_formula_weight         678.59
_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                   12.6293(16)
_cell_length_b                   12.9407(17)
_cell_length_c                   19.247(3)
_cell_measurement_temperature    150(2)
_cell_volume                     3145.6(7)
_diffrn_ambient_temperature      150(2)
_exptl_crystal_density_diffrn    1.433
_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               7100371
Triol protection with 6-benzoyl-3,4-dihydro-(2H)-pyran
B. Rawlings; Caroline D. L. Baker; John Fawcett; Christopher D. Insley; Derek S. Messenger; C.L.Newland; Helen L. Overend; Anup K. B. Patel; Mufakhrul Shah; Bhavna Vara; Davinder Virdee; Chemical Communications  (2005) –; doi:10.1039/b418035f

data_7100372
_publ_section_title
;
Triol protection with 6-benzoyl-3,4-dihydro-(2H)-pyran
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418035f
_journal_year                    2005
_chemical_formula_sum            'C15 H17 O4'
_chemical_formula_weight         261.29
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 113.236(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.354(4)
_cell_length_b                   6.0880(9)
_cell_length_c                   14.926(2)
_cell_measurement_temperature    200(2)
_cell_volume                     1282.0(4)
_diffrn_ambient_temperature      200(2)
_exptl_crystal_density_diffrn    1.354
_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'
_cod_database_code               7100372
Triol protection with 6-benzoyl-3,4-dihydro-(2H)-pyran
B. Rawlings; Caroline D. L. Baker; John Fawcett; Christopher D. Insley; Derek S. Messenger; C.L.Newland; Helen L. Overend; Anup K. B. Patel; Mufakhrul Shah; Bhavna Vara; Davinder Virdee; Chemical Communications  (2005) –; doi:10.1039/b418035f

data_7100373
_publ_section_title
;
Triol protection with 6-benzoyl-3,4-dihydro-(2H)-pyran
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/b418035f
_journal_year                    2005
_chemical_formula_sum            'C16 H20 O4'
_chemical_formula_weight         276.32
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 105.89(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.320(6)
_cell_length_b                   23.154(16)
_cell_length_c                   9.673(6)
_cell_measurement_temperature    190(2)
_cell_volume                     1361.4(18)
_diffrn_ambient_temperature      190(2)
_exptl_crystal_density_diffrn    1.348
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7100373