Synthesis of functionalized maoecrystal V core structures.
Nicolaou, K C; Dong, Lin; Deng, Lujiang; Talbot, Adam C; Chen, David Y-K; Chemical communications (Cambridge, England) 46 (2009) 70–72; doi:10.1039/b917045f

data_7105123
_publ_section_title
;
 Synthesis of functionalized maoecrystal V core structures.
;
_journal_issue                   1
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              70
_journal_page_last               72
_journal_paper_doi               10.1039/b917045f
_journal_volume                  46
_journal_year                    2009
_chemical_formula_moiety         'C17 H18 O5 '
_chemical_formula_sum            'C17 H18 O5'
_chemical_formula_weight         302.33
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            7
_cell_length_a                   7.96130(10)
_cell_length_b                   17.2291(3)
_cell_length_c                   20.1287(4)
_cell_measurement_reflns_used    41301
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      72.5
_cell_measurement_theta_min      2.3
_cell_volume                     2760.97(8)
_computing_cell_refinement       PROCESS
_computing_data_collection       PROCESS
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku RAXIS-UNKNOWN'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.065
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            50910
_diffrn_reflns_theta_full        40.25
_diffrn_reflns_theta_max         40.25
_exptl_absorpt_coefficient_mu    0.093
_exptl_absorpt_correction_T_max  0.981
_exptl_absorpt_correction_T_min  0.851
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.273
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1120.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         159.00
_refine_diff_density_min         -19.60
_refine_ls_extinction_coef       11(7)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   2.770
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     402
_refine_ls_number_reflns         35632
_refine_ls_R_factor_gt           0.0625
_refine_ls_shift/su_max          21.3889
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0633
_reflns_number_gt                35147
_reflns_number_total             8696
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b917045f.txt
_cod_data_source_block           '__RG_140308'
_cod_original_formula_sum        'C17 H18 O5 '
_cod_database_code               7105123