Information card for entry 7106819

Structure parameters

• Common name: mixed crystal
• Chemical name: mixed crystal
• Formula: C26 H26 Br Cl O2 S2
• Calculated formula: C26 H26 Br Cl O2 S2
• Title of publication: Controlling stereoselectivity of solid-state photoreactions by co-crystal formation
• Authors of publication: Ryo Sekiya; Reiko Kuroda
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 10097
• a: 15.8902 ± 0.0004 Å
• b: 15.2239 ± 0.0003 Å
• c: 20.654 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4996.4 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.815
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No