Information card for entry 4506638

Structure parameters

• Formula: C28 H26 N2 O3
• Calculated formula: C28 H26 N2 O3
• SMILES: Oc1c(cccc1)/C=N/c1cc(ccc1)C(=O)[O-].[NH2+](Cc1ccccc1)Cc1ccccc1
• 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: 9.0694 ± 0.0006 Å
• b: 17.9222 ± 0.0017 Å
• c: 14.5011 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2357.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No