Information card for entry 4506632

Structure parameters

• Formula: C19 H17 N3 O3
• Calculated formula: C19 H17 N3 O3
• SMILES: Oc1c(cccc1)/C=N/c1cc(ccc1)C(=O)[O-].[nH+]1ccccc1N
• 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: 18.7827 ± 0.0003 Å
• b: 6.1948 ± 0.0001 Å
• c: 15.6531 ± 0.0003 Å
• α: 90°
• β: 111.743 ± 0.001°
• γ: 90°
• Cell volume: 1691.74 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0522
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No