Synthesis, non-spherical structure refinement and Hirshfeld surface analysis of racemic 2,2′-diisobutoxy-1,1′-binaphthalene
Coulibaly, Pénayori Marie-Aimée; Ziki, Eric; Bisseyou, Yvon Bibila Mayaya; Camara, Tchambaga Etienne; Coulibaly, Souleymane; Sissouma, Drissa; Acta Crystallographica Section E Crystallographic Communications 80 (2024) –; doi:10.1107/S2056989024009101

data_2023256
_publ_section_title
;
 Synthesis, non-spherical structure refinement and Hirshfeld surface
 analysis of racemic 2,2&#x2032;-diisobutoxy-1,1&#x2032;-binaphthalene
;
_journal_coeditor_code           HB8104
_journal_issue                   10
_journal_name_full
'Acta Crystallographica Section E Crystallographic Communications'
_journal_paper_doi               10.1107/S2056989024009101
_journal_volume                  80
_journal_year                    2024
_chemical_formula_iupac          'C28 H30 O2'
_chemical_formula_moiety         'C28 H30 O2'
_chemical_formula_sum            'C28 H30 O2'
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_chemical_melting_point          389
_chemical_name_systematic
;
2,2'-Diisobutoxy-1,1'-binaphthalene
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   direct
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;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_cell_angle_alpha                90
_cell_angle_beta                 99.920(2)
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_cell_length_b                   15.6537(11)
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_cell_measurement_temperature    100.15
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_cell_measurement_theta_min      2.96
_cell_volume                     2198.6(3)
_computing_cell_refinement
;
SAINT (Bruker, 2019)
;
_computing_data_collection
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APEX4 (Bruker, 2019)
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_computing_data_reduction
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SAINT (Bruker, 2019)
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Olex2 1.5 (Dolomanov <i>et al.</i>,  2009)
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publCIF (Westrip,
2010)
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olex2.refine 1.5 (Bourhis <i>et al.</i>,  2015)
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<i>SHELXT2018/2</i> (Sheldrick, 2015a)
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_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
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;
(SADABS; Krause et al., 2015)
;
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_exptl_crystal_size_mid          0.306
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_refine_ls_R_factor_all          0.0352
_refine_ls_R_factor_gt           0.0226
_refine_ls_shift/su_max          0.0022
_refine_ls_shift/su_mean         0.0004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0137P)^2^+0.0711P] where P=(Fo^2^+2Fc^2^)/3'
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