Information card for entry 2010354

Structure parameters

• Formula: C30 H50 O
• Calculated formula: C30 H50 O
• SMILES: C[C@H]1CCC[C@@H]2[C@]1(C)C[C@@H]1O[C@@]31[C@@]2(C)CC[C@@]1([C@]3(C)CC[C@@]2([C@H]1CC(CC2)(C)C)C)C
• Title of publication: 7β,8β-Epoxyfriedelane
• Authors of publication: Dey, I.; Banerjee, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 1
• Pages of publication: 119 - 121
• a: 7.804 ± 0.001 Å
• b: 11.754 ± 0.002 Å
• c: 14.443 ± 0.002 Å
• α: 90°
• β: 103.57 ± 0.02°
• γ: 90°
• Cell volume: 1287.8 ± 0.3 ų
• Cell temperature: 300 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.062
• Goodness-of-fit parameter for significantly intense reflections: 1.855
• Diffraction radiation wavelength: 1.54182 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No