Information card for entry 7202175

Structure parameters

• Formula: C30 H31 N O4
• Calculated formula: C30 H31 N O4
• SMILES: c1(cccc2c1Cc1ccccc21)C(=O)[O-].c1(ccccc1)[C@@H](O)[C@H](c1ccccc1)[NH3+].OCC
• Title of publication: Multiple molecular response columnar host system composed of rac-2-amino-1,2-diphenylethanol and 1-fluorenecarboxylic acid
• Authors of publication: Imai, Yoshitane; Nagasaki, Keiko; Murata, Katuzo; Kawaguchi, Kakuhiro; Harada, Takunori; Nakano, Yoko; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 8
• Pages of publication: 951
• a: 28.581 ± 0.002 Å
• b: 6.16 ± 0.0005 Å
• c: 14.2146 ± 0.0011 Å
• α: 90°
• β: 97.441 ± 0.001°
• γ: 90°
• Cell volume: 2481.5 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No