Information card for entry 7150974

Structure parameters

• Formula: C23 H27 N O2
• Calculated formula: C23 H27 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: 10.9057 ± 0.0009 Å
• b: 6.1084 ± 0.0005 Å
• c: 14.6448 ± 0.0012 Å
• α: 90°
• β: 102.431 ± 0.001°
• γ: 90°
• Cell volume: 952.71 ± 0.14 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 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: 0.0559
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No