Information card for entry 4506641

Structure parameters

• Formula: C28 H26 N2 O3
• Calculated formula: C28 H26 N2 O3
• SMILES: Oc1c(/C=N/c2ccc(C(=O)[O-])cc2)cccc1.[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: 15.5992 ± 0.0014 Å
• b: 8.7313 ± 0.0007 Å
• c: 18.0848 ± 0.0015 Å
• α: 90°
• β: 110.397 ± 0.004°
• γ: 90°
• Cell volume: 2308.7 ± 0.3 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: 0.0748
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No