Multicomponent reactions of methyl substituted all-cis tetrafluorocyclohexane aldehydes.
Bykova, Tetiana; Al-Maharik, Nawaf; Slawin, Alexandra M. Z.; O'Hagan, David; Organic & biomolecular chemistry 14 (2016) 1117–1123; doi:10.1039/c5ob02334c

data_7154828
_publ_section_title
;
 Multicomponent reactions of methyl substituted all-cis
 tetrafluorocyclohexane aldehydes.
;
_journal_issue                   3
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              1117
_journal_page_last               1123
_journal_paper_doi               10.1039/c5ob02334c
_journal_volume                  14
_journal_year                    2016
_chemical_formula_moiety         'C26 H28 F4 N2 O2'
_chemical_formula_sum            'C26 H28 F4 N2 O2'
_chemical_formula_weight         476.51
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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_atom_sites_solution_hydrogens   geom
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_audit_creation_date             2015-09-15
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_audit_update_record
;
2015-11-12 deposited with the CCDC.
2015-11-30 downloaded from the CCDC.
;
_cell_angle_alpha                102.251(3)
_cell_angle_beta                 91.947(5)
_cell_angle_gamma                114.376(5)
_cell_formula_units_Z            4
_cell_length_a                   12.108(3)
_cell_length_b                   13.669(4)
_cell_length_c                   16.043(4)
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_cell_measurement_theta_max      27.50
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_computing_data_collection       'CrystalClear-SM Expert 2.1 b45 (Rigaku, 2015)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b45'
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_computing_structure_solution    'SIR2011 (Burla, et al., 2012)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 5.814
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku XtaLAB P200'
_diffrn_measurement_method       \w
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_diffrn_reflns_limit_h_min       -14
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_exptl_absorpt_coefficient_mu    0.107
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_exptl_absorpt_correction_T_min  1.000
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_exptl_crystal_description       prism
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_refine_ls_R_factor_all          0.0775
_refine_ls_R_factor_gt           0.0584
_refine_ls_shift/su_max          0.000
_refine_ls_structure_factor_coef Fsqd
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'w = 1/[\s^2^(Fo^2^)+(0.0927P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1555
_reflns_number_gt                5930
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_reflns_threshold_expression     F^2^>2.0\s(F^2^)
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'Adding full bibliography for 7154823--7154832.cif.'
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