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_7105124
_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_absolute_configuration 'CHOOSE rm ad rmad syn or unk'
_chemical_formula_moiety         'C16 H18 O4 '
_chemical_formula_sum            'C16 H18 O4'
_chemical_formula_weight         274.32
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                102.121(4)
_cell_angle_beta                 98.334(3)
_cell_angle_gamma                104.318(5)
_cell_formula_units_Z            2
_cell_length_a                   6.746(3)
_cell_length_b                   8.675(3)
_cell_length_c                   11.483(4)
_cell_measurement_reflns_used    1516
_cell_measurement_temperature    110.1
_cell_measurement_theta_max      31.4
_cell_measurement_theta_min      2.5
_cell_volume                     622.7(4)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.886
_diffrn_measured_fraction_theta_max 0.886
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.017
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9568
_diffrn_reflns_theta_full        31.04
_diffrn_reflns_theta_max         31.04
_exptl_absorpt_coefficient_mu    0.104
_exptl_absorpt_correction_T_max  0.981
_exptl_absorpt_correction_T_min  0.935
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.463
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       unknown
_exptl_crystal_F_000             292.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.18
_refine_diff_density_max         57.50
_refine_diff_density_min         -9.46
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881. 1542 Friedel Pairs'
_refine_ls_abs_structure_Flack   -2(2)
_refine_ls_extinction_coef       87(3)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   6.924
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     439
_refine_ls_number_reflns         8104
_refine_ls_R_factor_gt           0.0459
_refine_ls_shift/su_max          9.1257
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0427
_reflns_number_gt                8079
_reflns_number_total             5075
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b917045f.txt
_cod_data_source_block           '__M0807001'
_cod_original_formula_sum        'C16 H18 O4 '
_cod_database_code               7105124