Information card for entry 7150332

Structure parameters

• Common name: complex of (R)(+)2,2'-Dihydroxy-1,1'-binaphthyl with (R)(+)N- (3-Chloro-2-hydroxypropyl)-N,N,N-trimethylammonium Chloride
• Formula: C78 H87 Cl6 N3 O9
• Calculated formula: C78 H87 Cl6 N3 O9
• SMILES: [Cl-].ClC[C@@H](C[N+](C)(C)C)O.c1(c2c(ccc1O)cccc2)c1c2c(ccc1O)cccc2
• Title of publication: Efficient resolution of 2,2'-dihydroxy-1,1'-binaphthyl by inclusion complexation with chiral N-(3-chloro-2-hydroxypropyl)-N,N,N-trimethylammonium chloride.
• Authors of publication: Toda, Fumio; Yoshizawa, Kazuhiro; Hyoda, Shunji; Toyota, Shinji; Chatziefthimiou, Spyros; Mavridis, Irene M.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 4
• Pages of publication: 449 - 451
• a: 30.941 ± 0.01 Å
• b: 23.839 ± 0.007 Å
• c: 10.252 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7562 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No