Information card for entry 7053754

Structure parameters

• Formula: C30 H29 N2 O2.5
• Calculated formula: C30 H29 N2 O2.5
• SMILES: c1c(ccc2cc3ccccc3cc12)CC(=O)[O-].c1(ccccc1)[C@@H]([NH3+])[C@@H](c1ccccc1)N.O
• Title of publication: Control of circularly polarized luminescence (CPL) properties by supramolecular complexation
• Authors of publication: Imai, Yoshitane; Kawano, Kenta; Nakano, Yoko; Kawaguchi, Kakuhiro; Harada, Takunori; Sato, Tomohiro; Fujiki, Michiya; Kuroda, Reiko; Matsubara, Yoshio
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 7
• Pages of publication: 1110
• a: 16.2996 ± 0.0018 Å
• b: 24.9 ± 0.003 Å
• c: 5.747 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2332.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No