Information card for entry 7150973

Structure parameters

• Formula: C23 H21 N O2
• Calculated formula: C23 H21 N O2
• SMILES: c1c(ccc2cc3ccccc3cc12)C(=O)[O-].c1(ccccc1)[C@@H](C)[NH3+]
• Title of publication: Preparation of a spontaneous resolution chiral fluorescent system using 2-anthracenecarboxylic acid
• Authors of publication: Imai, Yoshitane; Kamon, Kensaku; Murata, Katuzo; Harada, Takunori; Nakano, Yoko; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 19
• Pages of publication: 3471 - 3475
• a: 9.319 ± 0.003 Å
• b: 6.15 ± 0.0017 Å
• c: 15.347 ± 0.004 Å
• α: 90°
• β: 90.088 ± 0.005°
• γ: 90°
• Cell volume: 879.6 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0663
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No