Information card for entry 4506631

Structure parameters

• Formula: C14 H11 N O3
• Calculated formula: C14 H11 N O3
• SMILES: Oc1c(cccc1)/C=N/c1cccc(c1)C(=O)O
• 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: 24.618 ± 0.003 Å
• b: 3.8451 ± 0.0006 Å
• c: 12.3857 ± 0.0016 Å
• α: 90°
• β: 91.33 ± 0.003°
• γ: 90°
• Cell volume: 1172.1 ± 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: 0.0711
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No