Information card for entry 4511298

Structure parameters

• Common name: Compound 2
• Formula: C56 H40 Cl2 N O
• Calculated formula: C56 H40 Cl2 N O
• Title of publication: Engineered Photochromism in Crystalline Salicylidene Anilines by Facilitating Rotation to Reach the Coloredtrans-Keto Form
• Authors of publication: Staehle, Ira O.; Rodríguez-Molina, Braulio; Khan, Saeed I.; Garcia-Garibay, Miguel A.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 7
• Pages of publication: 3667
• a: 9.5933 ± 0.0005 Å
• b: 9.795 ± 0.0005 Å
• c: 23.4843 ± 0.0013 Å
• α: 99.652 ± 0.001°
• β: 94.184 ± 0.001°
• γ: 100.588 ± 0.0011°
• Cell volume: 2126.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No