Information card for entry 7217670

Structure parameters

• Formula: C24 H17 N O2
• Calculated formula: C24 H17 N O2
• SMILES: N(=C\c1c(c(ccc1)OC)O)/c1c2ccc3cccc4ccc(cc1)c2c34
• Title of publication: Solid-state photochromism and thermochromism of N-salicylidene pyrene derivatives
• Authors of publication: Safin, Damir A.; Bolte, Michael; Garcia, Yann
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 37
• Pages of publication: 8786
• a: 25.4 ± 0.002 Å
• b: 14.8069 ± 0.0011 Å
• c: 9.0424 ± 0.0006 Å
• α: 90°
• β: 100.146 ± 0.006°
• γ: 90°
• Cell volume: 3347.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1044
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No