Structure of a polydentate alkoxide ligand, <i>cis</i>-tetrahydroxytetramethylcyclobutane
Olmstead, M. M.; Hobbs, J. L.; Planalp, R. P.; Acta Crystallographica Section C 48 (1992) 1902–1904; doi:10.1107/S0108270192006425

data_2000575
_publ_section_title
;
 Structure of a polydentate alkoxide ligand,
 <i>cis</i>-tetrahydroxytetramethylcyclobutane
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1902
_journal_page_last               1904
_journal_paper_doi               10.1107/S0108270192006425
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C8 H16 O4'
_chemical_formula_weight         176.2
_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 114.07(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.850(5)
_cell_length_b                   8.206(4)
_cell_length_c                   10.780(4)
_cell_measurement_reflns_used    35
_cell_measurement_temperature    130
_cell_measurement_theta_max      20
_cell_measurement_theta_min      8
_cell_volume                     876.3(7)
_diffrn_measurement_device       'Syntex P2~1~'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.011
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            1322
_diffrn_reflns_theta_max         22.5
_diffrn_standards_decay_%        +-1.5
_diffrn_standards_interval_count 198
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.099
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.34
_exptl_crystal_description       Prism
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.22
_refine_diff_density_min         -0.22
_refine_ls_goodness_of_fit_obs   1.13
_refine_ls_number_parameters     158
_refine_ls_number_reflns         843
_refine_ls_R_factor_obs          0.041
_refine_ls_shift/esd_max         0.06
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = [\s^2^(F)+0.0007F^2^]^-1^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.049
_reflns_number_observed          843
_reflns_number_total             1245
_reflns_observed_criterion       F>4.0\s(F)
_cod_data_source_file            ab1001.cif
_cod_data_source_block           ab1001a
_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 

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_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '[\s^2^(F)+0.0007F^2^]^-1^' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
[\s^2^(F)+0.0007F^2^]^-1^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        876.0(7)
_cod_database_code               2000575