Information card for entry 1502285

Structure parameters

• Common name: Chinnar
• Formula: C20 H32 O2
• Calculated formula: C20 H32 O2
• SMILES: O[C@@H]1C(c2c(c(c(C)c(c2)CC[C@H](C)CCO)C)CC1)(C)C
• Title of publication: Total synthesis of isofregenedadiol.
• Authors of publication: Kurhade, Suresh E.; Sanchawala, Abbas I.; Ravikumar, Velayutham; Bhuniya, Debnath; Reddy, D. Srinivasa
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 14
• Pages of publication: 3690 - 3693
• a: 10.376 ± 0.003 Å
• b: 7.525 ± 0.002 Å
• c: 11.906 ± 0.004 Å
• α: 90°
• β: 98.198 ± 0.005°
• γ: 90°
• Cell volume: 920.1 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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 all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No