Information card for entry 1512251

Structure parameters

• Common name: 3-[(4-nitrophenyl)imino]-1H,3H-benzo[de]isochromen-1-one
• Chemical name: 3-[(4-nitrophenyl)imino]-1H,3H-benzo[de]isochromen-1-one
• Formula: C18 H10 N2 O4
• Calculated formula: C18 H10 N2 O4
• SMILES: O=C1O/C(=N\c2ccc(N(=O)=O)cc2)c2c3c1cccc3ccc2
• Title of publication: Preparation, Characterization, and Electronic Structure of Asymmetric Isonaphthalimide: Mechanism of Dual Fluorescence in Solid State
• Authors of publication: Ganin, Eduard V.; Masunov, Artëm E.; Siminel, Anatolii V.; Fonari, Marina S.
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2013
• Journal volume: 117
• Journal issue: 35
• Pages of publication: 18154
• a: 29.36 ± 0.003 Å
• b: 3.8228 ± 0.0003 Å
• c: 24.968 ± 0.002 Å
• α: 90°
• β: 93.109 ± 0.01°
• γ: 90°
• Cell volume: 2798.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0778
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No