Information card for entry 1508921

Structure parameters

• Formula: C28 H24 N2 O4
• Calculated formula: C28 H24 N2 O4
• SMILES: N(/N=C(/c1c(O)cc(OC)cc1)\c1ccccc1)=C(c1c(cc(cc1)OC)O)c1ccccc1
• Title of publication: Reversible Thermochromism of Aggregation-Induced Emission-Active Benzophenone Azine Based on Polymorph-Dependent Excited-State Intramolecular Proton Transfer Fluorescence
• Authors of publication: Wei, Ruirui; Song, Panshu; Tong, Aijun
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2013
• Journal volume: 117
• Journal issue: 7
• Pages of publication: 3467
• a: 19.228 ± 0.004 Å
• b: 12.902 ± 0.0014 Å
• c: 21.509 ± 0.003 Å
• α: 90°
• β: 118.55 ± 0.02°
• γ: 90°
• Cell volume: 4687.1 ± 1.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.123
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.417
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No