Information card for entry 1505512

Structure parameters

• Formula: C60 H60 N2 O9
• Calculated formula: C60 H60 N2 O9
• SMILES: c1(ccccc1)[C@H]([NH3+])[C@@H](c1ccccc1)O.c1c(ccc2c1cc1ccccc1c2)C(=O)[O-].O.OCC
• Title of publication: A solid-state fluorescence sensing system consisting of chiral (1R,2S)-2-amino-1,2-diphenylethanol and fluorescent 2-anthracenecarboxylic acid.
• Authors of publication: Imai, Yoshitane; Murata, Katuzo; Kawaguchi, Kakuhiro; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 17
• Pages of publication: 3457 - 3460
• a: 5.7753 ± 0.0005 Å
• b: 14.7522 ± 0.0014 Å
• c: 16.0657 ± 0.0015 Å
• α: 116.528 ± 0.001°
• β: 91.539 ± 0.002°
• γ: 94.751 ± 0.002°
• Cell volume: 1217.32 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No