Information card for entry 7234900

Structure parameters

• Formula: C35 H32 F3 N3 O7
• Calculated formula: C35 H32 F3 N3 O7
• SMILES: n1c(n(c2cc(cc(c2)C(=O)O)C(=O)O)c(c1c1ccc(F)cc1)c1ccc(F)cc1)c1cc(F)ccc1O.N(C=O)(C)C.OC(C)C
• Title of publication: A naked eye colorimetric sensor for alcohol vapor discrimination and amplified spontaneous emission (ASE) from a highly fluorescent excited-state intramolecular proton transfer (ESIPT) molecule
• Authors of publication: Ling Chen; Shao-Yun Yin; Mei Pan; Kai Wu; Hai-Ping Wang; Ya-Nan Fan; Cheng-Yong Su
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 6962 - 6966
• a: 9.1127 ± 0.0003 Å
• b: 12.7452 ± 0.0007 Å
• c: 14.6534 ± 0.0009 Å
• α: 89.06 ± 0.005°
• β: 89.138 ± 0.004°
• γ: 69.885 ± 0.004°
• Cell volume: 1597.79 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No