Information card for entry 7150975

Structure parameters

• Formula: C26 H27 N O2
• Calculated formula: C26 H27 N O2
• SMILES: c1c(ccc2cc3ccccc3cc12)C(=O)[O-].c1(ccc(cc1)C[NH3+])C(C)(C)C
• 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: 18.2494 ± 0.0014 Å
• b: 6.5375 ± 0.0005 Å
• c: 17.7953 ± 0.0013 Å
• α: 90°
• β: 99.532 ± 0.001°
• γ: 90°
• Cell volume: 2093.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.094
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No