(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_2003396
_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            'C14 H10 O'
_chemical_formula_weight         194.233
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   18.548(9)
_cell_length_b                   11.886(5)
_cell_length_c                   9.393(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      20
_cell_measurement_theta_min      18
_cell_volume                     2070.8(15)
_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       21
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1751
_diffrn_reflns_theta_max         67
_diffrn_standards_decay_%        <0.02
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.571
_exptl_absorpt_correction_T_max  1.098
_exptl_absorpt_correction_T_min  0.788
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.246
_exptl_crystal_description       'rectangular prism'
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.13
_refine_diff_density_min         -0.14
_refine_ls_extinction_coef       57(11)
_refine_ls_extinction_method     'Larson (1970)'
_refine_ls_goodness_of_fit_obs   1.12
_refine_ls_hydrogen_treatment    'One common U refined for all h atoms'
_refine_ls_number_parameters     138
_refine_ls_number_reflns         1220
_refine_ls_R_factor_obs          0.048
_refine_ls_shift/esd_max         0.06
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
'Chebychev polynomial with parameters 22.8, -48.8, 21.3 and -18.2'
_refine_ls_wR_factor_obs         0.028
_reflns_number_observed          1220
_reflns_number_total             1751
_reflns_observed_criterion       I>=3\sI
_cod_data_source_file            pa1115.cif
_cod_data_source_block           4
_cod_original_cell_volume        2071(2)
_cod_original_formula_sum        'C14 H10 O1'
_cod_database_code               2003396