LMucko/crystallography-open-database huggingface dataset:
6-Oxo-6-(phenylamino)hexanoic acid [two polymorphic forms, (I) and (II)] and 4-oxo-4-(<i>N</i>-methylphenylamino)butanoic acid (III)
Feeder, N.; Jones, W.; Acta Crystallographica Section C 50 (1994) 816–820; doi:10.1107/S0108270193010881

data_2009703
_publ_section_title
;
 6-Oxo-6-(phenylamino)hexanoic acid [two polymorphic forms, (I) and
 (II)] and 4-oxo-4-(<i>N</i>-methylphenylamino)butanoic acid (III)
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              816
_journal_page_last               820
_journal_paper_doi               10.1107/S0108270193010881
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C11 H13 N O3'
_chemical_formula_weight         207.2
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 96.58(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   9.6040(10)
_cell_length_b                   11.457(2)
_cell_length_c                   9.908(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      15
_cell_measurement_theta_min      11
_cell_volume                     1083.0(4)
_diffrn_measurement_device       'Enraf-Nonius CAD-4 four circle'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0141
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3308
_diffrn_reflns_theta_max         30
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.056
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.258
_exptl_crystal_description       plate-like
_exptl_crystal_F_000             440
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.33
_refine_diff_density_min         -0.22
_refine_ls_goodness_of_fit_obs   0.798
_refine_ls_hydrogen_treatment    'see text'
_refine_ls_number_parameters     144
_refine_ls_number_reflns         1318
_refine_ls_R_factor_obs          0.060
_refine_ls_shift/esd_max         0.059
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.060
_reflns_number_observed          1318
_reflns_number_total             3141
_reflns_observed_criterion       F>3\sF
_cod_data_source_file            hu1018.cif
_cod_data_source_block           hu1018_structure_3_of_3
_cod_original_cell_volume        1083
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C11 H13 N1 O3'
_cod_database_code               2009703
Trimellitimide (C~9~H~5~NO~4~) and <i>N</i>-ethyltrimellitimide (C~11~H~9~NO~4~)
Feeder, N.; Jones, W.; Acta Crystallographica Section C 50 (1994) 824–827; doi:10.1107/S0108270193010893

data_2009704
_publ_section_title
;
 Trimellitimide (C~9~H~5~NO~4~) and <i>N</i>-ethyltrimellitimide
 (C~11~H~9~NO~4~)
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              824
_journal_page_last               827
_journal_paper_doi               10.1107/S0108270193010893
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C9 H5 N O4'
_chemical_formula_weight         191.15
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                70.44(2)
_cell_angle_beta                 73.90(2)
_cell_angle_gamma                76.42(3)
_cell_formula_units_Z            2
_cell_length_a                   6.537(4)
_cell_length_b                   8.161(3)
_cell_length_c                   8.450(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     403.1(4)
_diffrn_measurement_device       'Enraf-Nonius CAD4 four circle'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0302
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2107
_diffrn_reflns_theta_max         28
_diffrn_standards_interval_count 100
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.12
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'White, transparent'
_exptl_crystal_density_diffrn    1.574
_exptl_crystal_description       Cuboid
_exptl_crystal_F_000             196
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.27
_refine_diff_density_min         -0.40
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.21
_refine_ls_number_parameters     129
_refine_ls_number_reflns         1083
_refine_ls_R_factor_obs          0.057
_refine_ls_shift/esd_max         0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.057
_reflns_number_observed          1083
_reflns_observed_criterion       'F >3\sF'
_cod_data_source_file            hu1019.cif
_cod_data_source_block           hu1019_structure_1_of_2
_cod_original_cell_volume        403
_cod_original_formula_sum        'C9 H5 N1 O4'
_cod_database_code               2009704
2-Phthalimidoethanoic acid monohydrate (I) and 6-phthalimidohexanoic acid monohydrate (II)
Feeder, N.; Jones, W.; Acta Crystallographica Section C 50 (1994) 820–823; doi:10.1107/S010827019301090X

data_2009706
_publ_section_title
;
 2-Phthalimidoethanoic acid monohydrate (I) and 6-phthalimidohexanoic
 acid monohydrate (II)
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              820
_journal_page_last               823
_journal_paper_doi               10.1107/S010827019301090X
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C10 H7 N O4, H2 O'
_chemical_formula_sum            'C10 H9 N O5'
_chemical_formula_weight         223.1
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.0
_cell_angle_beta                 149.20(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   10.000(2)
_cell_length_b                   13.788(3)
_cell_length_c                   14.216(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      14
_cell_measurement_theta_min      9
_cell_volume                     1003.7(7)
_diffrn_measurement_device       CAD-4
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.012
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3062
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.11
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'White transparent'
_exptl_crystal_density_diffrn    1.48
_exptl_crystal_description       Plate-like
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.38
_refine_diff_density_min         -0.20
_refine_ls_hydrogen_treatment    refU
_refine_ls_number_parameters     147
_refine_ls_number_reflns         1383
_refine_ls_R_factor_obs          0.060
_refine_ls_shift/esd_max         0.002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.060
_reflns_number_observed          1383
_reflns_number_total             2914
_reflns_observed_criterion       F>3\s(F)
_cod_data_source_file            hu1031.cif
_cod_data_source_block           hu1031_structure_1_of_2
_cod_original_cell_volume        1004
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2009706
2-Phthalimidoethanoic acid monohydrate (I) and 6-phthalimidohexanoic acid monohydrate (II)
Feeder, N.; Jones, W.; Acta Crystallographica Section C 50 (1994) 820–823; doi:10.1107/S010827019301090X

data_2009707
_publ_section_title
;
 2-Phthalimidoethanoic acid monohydrate (I) and 6-phthalimidohexanoic
 acid monohydrate (II)
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              820
_journal_page_last               823
_journal_paper_doi               10.1107/S010827019301090X
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C14 H15 N O4, H2 O'
_chemical_formula_sum            'C14 H17 N O5'
_chemical_formula_weight         279.1
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.0
_cell_angle_beta                 99.33(6)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   8.771(3)
_cell_length_b                   22.553(5)
_cell_length_c                   7.257(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      12
_cell_measurement_theta_min      8
_cell_volume                     1416.5(7)
_diffrn_measurement_device       CAD-4
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.031
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            4362
_diffrn_reflns_theta_max         30
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.09
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'White transparent'
_exptl_crystal_density_diffrn    1.31
_exptl_crystal_description       Rod-like
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.18
_refine_diff_density_min         -0.20
_refine_ls_hydrogen_treatment    'H atoms: see text'
_refine_ls_number_parameters     199
_refine_ls_number_reflns         1734
_refine_ls_R_factor_obs          0.054
_refine_ls_shift/esd_max         0.005
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.054
_reflns_number_observed          1734
_reflns_number_total             4126
_reflns_observed_criterion       F>3\s(F)
_cod_data_source_file            hu1031.cif
_cod_data_source_block           hu1031_structure_2_of_2
_cod_original_cell_volume        1417
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2009707
Sodium lanthanum(III) sulfate monohydrate, NaLa(SO~4~)~2~.H~2~O
Blackburn, A.C.; Gerkin, R.E.; Acta Crystallographica Section C 50 (1994) 835–838; doi:10.1107/S0108270193010066

data_2009765
_publ_section_title
;
 Sodium lanthanum(III) sulfate monohydrate, NaLa(SO~4~)~2~.H~2~O
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              835
_journal_page_last               838
_journal_paper_doi               10.1107/S0108270193010066
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'H2 La Na O9 S2'
_chemical_formula_weight         372.03
_space_group_IT_number           152
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_atom_type_scat_source
'Cromer & Waber (1974) (non-H) and Stewart, Davidson & Simpson, 1965) (H)'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            3
_cell_length_a                   7.0557(7)
_cell_length_b                   7.0557(7)
_cell_length_c                   12.9669(9)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      14.9
_cell_measurement_theta_min      14.2
_cell_volume                     559.05(9)
_diffrn_measurement_device       'Rigaku AFC5S'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\=\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.013
_diffrn_reflns_number            2118
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        +-0.7
_diffrn_standards_interval_count 150
_diffrn_standards_number         6
_exptl_absorpt_coefficient_mu    6.37
_exptl_absorpt_correction_T_max  '0.5364 (mean 0.4871)'
_exptl_absorpt_correction_T_min  0.4187
_exptl_absorpt_correction_type
'analytical (AGNOST; de Meulenaer & Tompa, 1965)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    3.315
_exptl_crystal_description       'Clear terminated-hexagonal column'
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.02
_refine_diff_density_min         -0.42
_refine_ls_extinction_coef       1.33E-6(26)
_refine_ls_extinction_method     'Zachariasen (1963, 1968)'
_refine_ls_goodness_of_fit_obs   1.39
_refine_ls_number_parameters     61
_refine_ls_number_reflns         851
_refine_ls_R_factor_obs          0.014
_refine_ls_shift/esd_max         0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
;w = \s~F~^-2^, \s~F~^-2^ = \s~I~/2FLp,
\s~I~^2^ = \s~cs~^2^(I)+(0.03I)^2^
;
_refine_ls_wR_factor_obs         0.024
_reflns_number_observed          851
_reflns_number_total             874
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            cr1065.cif
_cod_data_source_block           cr1065_structure_1_of_1
_cod_original_cell_volume        559.04(12)
_cod_database_code               2009765
CdV~2~(P~2~O~7~)~2~
Boudin, S.; Grandin, A.; Leclaire, A.; Borel, M.M.; Raveau, B.; Acta Crystallographica Section C 50 (1994) 840–842; doi:

data_2009769
_publ_section_title
;
CdV~2~(P~2~O~7~)~2~
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              840
_journal_page_last               842
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'Cd1 V2 (P2 O7 )2'
_chemical_formula_sum            'Cd O14 P4 V2'
_chemical_formula_weight         562.2
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.410(10)
_cell_angle_beta                 87.770(10)
_cell_angle_gamma                73.160(10)
_cell_formula_units_Z            1
_cell_length_a                   4.7833(6)
_cell_length_b                   6.9698(8)
_cell_length_c                   7.7644(8)
_cell_measurement_temperature    294
_cell_volume                     247.6(7)
_exptl_crystal_density_diffrn    3.770
_refine_ls_R_factor_obs          0.021
_refine_ls_wR_factor_obs         0.022
_cod_original_formula_sum        'Cd1 O14 P4 V2'
_cod_database_code               2009769
SrZrSi~2~O~7~
Huntelaar, M.E.; Cordfunke, E.H.P.; van Vlaanderen, P.; Ijdo, D.J.W.; Acta Crystallographica Section C 50 (1994) 988–991; doi:10.1107/S0108270193008364

data_2009819
_publ_section_title
;
 SrZrSi~2~O~7~
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              988
_journal_page_last               991
_journal_paper_doi               10.1107/S0108270193008364
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'O7 Si2 Sr Zr'
_chemical_formula_weight         347.011
_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                 111.900(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   7.7617(9)
_cell_length_b                   8.0713(10)
_cell_length_c                   10.0559(11)
_cell_measurement_reflns_used    33
_cell_measurement_temperature    295
_cell_measurement_theta_max      46.4
_cell_measurement_theta_min      14.4
_cell_volume                     584.51(12)
_diffrn_radiation_type           CuK\a~1~
_diffrn_radiation_wavelength     1.540598
_exptl_crystal_colour            'White powder'
_exptl_crystal_density_diffrn    3.9440(10)
_exptl_crystal_density_meas      3.93(2)
_cod_data_source_file            ab1069.cif
_cod_data_source_block           ab1069_structure_1_of_1
_cod_original_cell_volume        584.51(7)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'O7 Si2 Sr1 Zr1'
_cod_database_code               2009819
Synthesis and structures of two isostructural phosphites, Fe~11~(HPO~3~)~8~(OH)~6~ and Mn~11~(HPO~3~)~8~(OH)~6~
Attfield, Martin P.; Morris, Russell E.; Cheetham, Anthony K.; Acta Crystallographica Section C 50 (1994) 981–984; doi:10.1107/S0108270194001368

data_2009846
_publ_section_title
;
 Synthesis and structures of two isostructural phosphites,
 Fe~11~(HPO~3~)~8~(OH)~6~ and Mn~11~(HPO~3~)~8~(OH)~6~
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              981
_journal_page_last               984
_journal_paper_doi               10.1107/S0108270194001368
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         '11Mn 2+ , 8H P O3 2- , 6OH 1-'
_chemical_formula_structural     'Mn11 (H P O3)8 (O H)6'
_chemical_formula_sum            'H14 Mn11 O30 P8'
_chemical_formula_weight         1346.2
_chemical_name_systematic        'Manganese Hydroxyphosphite'
_space_group_IT_number           186
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   13.1957(6)
_cell_length_b                   13.1957(6)
_cell_length_c                   5.1770(3)
_cell_volume                     780.68(7)
_cod_data_source_file            br1071.cif
_cod_data_source_block           II
_cod_depositor_comments
;
 Changing the _atom_site_occupancy data item value from '?' to '1'
 for all fully occupied atom sites.

 Antanas Vaitkus,
 2017-02-13

 Adding the _atom_type_symbol data item to the _atom_type loop.
 The values of the _atom_type_symbol data item were inferred from
 the _atom_site_type_symbol and _atom_site_label data items.

 Antanas Vaitkus,
 2017-01-11

The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
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 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        780.68(8)
_cod_database_code               2009846
A Revised Structure for α-Dicalcium Silicate Hydrate
Marsh, R.E.; Acta Crystallographica Section C 50 (1994) 996–997; doi:

data_2009858
_publ_section_title
;
A Revised Structure for \a-Dicalcium Silicate Hydrate
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              996
_journal_page_last               997
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Ca2 H2 O5 Si'
_chemical_formula_weight         190.26
_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.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   9.487(4)
_cell_length_b                   9.179(4)
_cell_length_c                   10.666(7)
_cell_volume                     928.8(8)
_exptl_crystal_density_diffrn    2.72
_cod_original_formula_sum        'H2 Ca2 O5 Si1'
_cod_database_code               2009858
_cod_duplicate_entry             9011378
(2S,3R,4S,5R,6S,7R,8R,9S)-1,2,3,4,5,6,7,8,9-Nonaacetoxydecane
Lewinski, Krzysztof; Marshall, James A.; Beaudoin, Serge; Acta Crystallographica Section C 50 (1994) 1366–1372; doi:

data_2009972
_publ_section_title
;
(2S,3R,4S,5R,6S,7R,8R,9S)-1,2,3,4,5,6,7,8,9-Nonaacetoxydecane
;
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1366
_journal_page_last               1372
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C28 H40 O18'
_chemical_formula_sum            'C28 H40 O18'
_chemical_formula_weight         664.6
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 95.47(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   9.314(3)
_cell_length_b                   18.889(4)
_cell_length_c                   10.0360(10)
_cell_measurement_temperature    293
_cell_volume                     1758.0(10)
_exptl_crystal_density_diffrn    1.256
_refine_ls_R_factor_obs          0.046
_refine_ls_wR_factor_obs         0.050
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2009972