Information card for entry 7232506

Structure parameters

• Formula: C48 H68 N2 O5
• Calculated formula: C48 H68 N2 O5
• Title of publication: Cholesterol-based photo-switchable mesogenic dimers. Strongly bent molecules versus an intercalated structure
• Authors of publication: Zep, Anna; Pruszkowska, Kamila; Dobrzycki, Łukasz; Sektas, Katarzyna; Szałański, Piotr; Marek, Paulina H.; Cyrański, Michał K.; Sicinski, Rafal R.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 17
• Pages of publication: 2779
• a: 18.2461 ± 0.001 Å
• b: 10.1265 ± 0.0006 Å
• c: 23.6108 ± 0.0014 Å
• α: 90°
• β: 91.8549 ± 0.0018°
• γ: 90°
• Cell volume: 4360.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No