Information card for entry 7238730

Structure parameters

• Formula: C26 H20 N2 O2 S
• Calculated formula: C26 H20 N2 O2 S
• Title of publication: Solid-state thermo- and photochromism in N,N′-bis(5-X-salicylidene)diamines (X = H, Br)
• Authors of publication: Safin, Damir A.; Robeyns, Koen; Garcia, Yann
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 30
• Pages of publication: 11379
• a: 5.5937 ± 0.0003 Å
• b: 42.721 ± 0.003 Å
• c: 8.7533 ± 0.0006 Å
• α: 90°
• β: 96.129 ± 0.006°
• γ: 90°
• Cell volume: 2079.8 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No