Information card for entry 4503728

Structure parameters

• Formula: C22 H19 N O2
• Calculated formula: C22 H19 N O2
• SMILES: c1c(ccc2cc3ccccc3cc12)C(=O)[O-].c1(ccccc1)C[NH3+]
• Title of publication: Selective Formation and Optical Property of a 21-Helical Columnar Fluorophore Composed of Achiral 2-Anthracenecarboxylic Acid and Benzylamine
• Authors of publication: Imai, Yoshitane; Murata, Katuzo; Asano, Natsuyo; Nakano, Yoko; Kawaguchi, Kakuhiro; Harada, Takunori; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 3376
• a: 9.3866 ± 0.0008 Å
• b: 5.7927 ± 0.0005 Å
• c: 15.8363 ± 0.0013 Å
• α: 90°
• β: 106.364 ± 0.001°
• γ: 90°
• Cell volume: 826.2 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No