(1<i>R</i>)-4,5-Benzocyclodeca-4-ene-2,6-diyn-1-yl 2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside and 4,5-Benzocyclodeca-4-ene-2,6-diyn-1-one
Cousson, A.; Dancy, I.; Beau, J.-M.; Acta Crystallographica Section C 51 (1995) 718–721; doi:10.1107/S0108270194008048

data_2003395
_publ_section_title
;
 (1<i>R</i>)-4,5-Benzocyclodeca-4-ene-2,6-diyn-1-yl
 2,3,4,6-Tetra-<i>O</i>-acetyl-\b-<small>D</small>-glucopyranoside and
 4,5-Benzocyclodeca-4-ene-2,6-diyn-1-one
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              718
_journal_page_last               721
_journal_paper_doi               10.1107/S0108270194008048
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C28 H30 O10'
_chemical_formula_weight         526.538
_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'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   31.10(1)
_cell_length_b                   9.452(5)
_cell_length_c                   9.507(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      20.25
_cell_measurement_theta_min      17.5
_cell_volume                     2795(2)
_diffrn_measurement_device       'Philips PW 1100'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2400
_diffrn_reflns_theta_max         67
_diffrn_standards_decay_%        <0.02
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.759
_exptl_absorpt_correction_T_max  1.096
_exptl_absorpt_correction_T_min  0.801
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.251
_exptl_crystal_description       'thin plate'
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.31
_refine_diff_density_min         -0.36
_refine_ls_extinction_coef       36(20)
_refine_ls_extinction_method     'Larson (1970)'
_refine_ls_goodness_of_fit_obs   1.05
_refine_ls_hydrogen_treatment    'One common U refined for all H atoms'
_refine_ls_number_parameters     345
_refine_ls_number_reflns         1424
_refine_ls_R_factor_obs          0.065
_refine_ls_shift/esd_max         0.3
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
'Chebychev polynomial with parameters 10.4, 0.676, 8.55'
_refine_ls_wR_factor_obs         0.078
_reflns_number_observed          1424
_reflns_number_total             2400
_reflns_observed_criterion       I>=3\sI
_cod_data_source_file            pa1115.cif
_cod_data_source_block           3a
_cod_database_code               2003395