Information card for entry 4027735

Structure parameters

• Common name: DR 10 IZOMER II
• Formula: C55 H72 Cl2 O6
• Calculated formula: C55 H72 Cl2 O6
• Title of publication: Macrocyclic Molecular Rotors with Bridged Steroidal Frameworks
• Authors of publication: Dorota Czajkowska-Szczykowska; Braulio Rodríguez-Molina; Nancy E. Magaña-Vergara; Rosa Santillan; Jacek W. Morzycki; Miguel A. Garcia-Garibay
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 9970 - 9978
• a: 13.677 ± 0.0003 Å
• b: 14.981 ± 0.0002 Å
• c: 24.659 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5052.51 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1015
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.2157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No