Information card for entry 7111315

Structure parameters

• Formula: C24 H26 Cl N O2
• Calculated formula: C24 H26 Cl N O2
• SMILES: [Cl-].Oc1c(c2c(cc1)cccc2)c1c(O)ccc2ccccc12.[N+](C)(C)(C)C
• Title of publication: A novel transformation of a 1 : 1 : 1 racemic complex of 2,2?-dihydroxy-1,1?-binaphthyl, Me4N+ Cl? and MeOH into a conglomerate in the solid state by heating or contact with MeOH vapour
• Authors of publication: Yoshizawa, Kazuhiro; Toyota, Shinji; Toda, Fumio
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 16
• Pages of publication: 1844 - 1845
• a: 9.0002 ± 0.0001 Å
• b: 14.1519 ± 0.0003 Å
• c: 16.6811 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2124.67 ± 0.06 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 2.269
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No