Information card for entry 7217666

Structure parameters

• Formula: C23 H14 Cl N O
• Calculated formula: C23 H14 Cl N O
• SMILES: Clc1ccc(O)c(/C=N/c2c3ccc4cccc5ccc(cc2)c3c45)c1
• 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: 3.8884 ± 0.0006 Å
• b: 14.2024 ± 0.0015 Å
• c: 28.643 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1581.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No