Information card for entry 4506637

Structure parameters

• Formula: C29 H28 N4 O3
• Calculated formula: C29 H28 N4 O3
• SMILES: Oc1c(cccc1)/C=N/c1cc(ccc1)C(=O)[O-].[NH2+]=C(Nc1c(cccc1)C)Nc1ccccc1C
• Title of publication: Photochromism Control of Salicylideneaniline Derivatives by Acid‒Base Co-Crystallization
• Authors of publication: Johmoto, Kohei; Sekine, Akiko; Uekusa, Hidehiro
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 4779
• a: 19.7104 ± 0.0004 Å
• b: 10.8346 ± 0.0002 Å
• c: 24.3804 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5206.54 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1263
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No