Information card for entry 7202176

Structure parameters

• Formula: C31 H33 N O4
• Calculated formula: C31 H33 N O4
• SMILES: c1ccc(c2c1c1ccccc1C2)C(=O)[O-].c1(ccccc1)[C@@H](O)[C@H](c1ccccc1)[NH3+].OCCC.c1ccc(c2c1c1ccccc1C2)C(=O)[O-].c1(ccccc1)[C@H](O)[C@@H](c1ccccc1)[NH3+].OCCC
• 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: 13.9729 ± 0.0015 Å
• b: 6.1709 ± 0.0007 Å
• c: 29.952 ± 0.003 Å
• α: 90°
• β: 94.452 ± 0.002°
• γ: 90°
• Cell volume: 2574.8 ± 0.5 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1083
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No