Information card for entry 7118021

Structure parameters

• Chemical name: N-(benzo[h]quinolin-10-yl)benzamide
• Formula: C20 H14 N2 O
• Calculated formula: C20 H14 N2 O
• SMILES: O=C(Nc1cccc2ccc3cccnc3c12)c1ccccc1
• Title of publication: A new class of N-H proton transfer molecules: wide tautomer emission tuning from 590 nm to 770 nm via a facile, single site amino derivatization in 10-aminobenzo[h]quinoline
• Authors of publication: Huan-Wei Tseng; Ta-Chun Lin; Chi-Lin Chen; Tzu-Chieh Lin; Yi-An Chen; Jun-Qi Liu; Cheng-Hsien Hung; Chi-Min Chao; Kuan-Miao Liu; Pi-Tai Chou
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 16099
• a: 10.9292 ± 0.0008 Å
• b: 16.0839 ± 0.0011 Å
• c: 8.704 ± 0.0008 Å
• α: 90°
• β: 103.591 ± 0.008°
• γ: 90°
• Cell volume: 1487.2 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.1655
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No