Information card for entry 7227211

Structure parameters

• Formula: C25 H23 N O3
• Calculated formula: C25 H23 N O3
• SMILES: O=C1N(CCCC)C(=O)c2c3c1ccc(c3ccc2)/C=C/c1ccc(OC)cc1
• Title of publication: Controlling photophysics of styrylnaphthalimides through TICT, fluorescence and E,Z-photoisomerization interplay.
• Authors of publication: Panchenko, Pavel A.; Arkhipova, Antonina N.; Fedorova, Olga A.; Fedorov, Yuri V.; Zakharko, Marina A.; Arkhipov, Dmitry E.; Jonusauskas, Gediminas
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 2
• Pages of publication: 1244 - 1256
• a: 16.3324 ± 0.001 Å
• b: 7.7981 ± 0.0005 Å
• c: 15.33 ± 0.0009 Å
• α: 90°
• β: 101.178 ± 0.001°
• γ: 90°
• Cell volume: 1915.4 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0817
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No