Information card for entry 4022747

Structure parameters

• Formula: C39 H54
• Calculated formula: C39 H54
• SMILES: C1CC2(C[C@@H]3CC[C@@H]4[C@@H]([C@@]13C)CC[C@]1([C@H]4CC[C@@H]1[C@H](C)CCCC(C)C)C)c1ccccc1c1ccccc21
• Title of publication: Preparation of Chiral Cholestanofluorene and Its Electron-Rich Derivatives for Isolation of a Stable Cation-Radical Salt
• Authors of publication: Paromita Debroy; Ruchi Shukla; Sergey V. Lindeman; Rajendra Rathore
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 1765 - 1769
• a: 8.0272 ± 0.0008 Å
• b: 13.8028 ± 0.0014 Å
• c: 27.746 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3074.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• 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: 0.06
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No