Information card for entry 4026639

Structure parameters

• Formula: C15 H13 N3 O
• Calculated formula: C15 H13 N3 O
• SMILES: O=C1N(C(=N/C1=C/c1[nH]ccc1)c1ccccc1)C
• Title of publication: Excited-State Intramolecular Proton Transfer Molecules Bearing o-Hydroxy Analogues of Green Fluorescent Protein Chromophore
• Authors of publication: Wei-Ti Chuang; Cheng-Chih Hsieh; Chin-Hung Lai; Cheng-Hsuan Lai; Chun-Wei Shih; Kew-Yu Chen; Wen-Yi Hung; Yu-Hsiang Hsu; Pi-Tai Chou
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 8189 - 8202
• a: 27.454 ± 0.002 Å
• b: 13.7918 ± 0.0012 Å
• c: 6.666 ± 0.0006 Å
• α: 90°
• β: 98.678 ± 0.003°
• γ: 90°
• Cell volume: 2495.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.236
• Residual factor for significantly intense reflections: 0.1095
• Weighted residual factors for significantly intense reflections: 0.2136
• Weighted residual factors for all reflections included in the refinement: 0.2988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No