Information card for entry 2006483

Structure parameters

• Formula: C18 H26 O2
• Calculated formula: C18 H26 O2
• SMILES: O[C@@H]1[C@@]2([C@H]3C(=CC[C@@H]2C(=O)C(=C1)C(C)C)CCCC3)C.O[C@H]1[C@]2([C@@H]3C(=CC[C@H]2C(=O)C(=C1)C(C)C)CCCC3)C
• Title of publication: Intermediates in the Synthesis of Cembrane Diterpenes. I
• Authors of publication: Caracelli, I.; Iulek, J.; Neves, Ademir; Vencato, Ivo; Silva Jr, F.; Brocksom, Timothy John; Zukerman-Schpector, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1282 - 1284
• a: 9.751 ± 0.001 Å
• b: 12.133 ± 0.0002 Å
• c: 13.9205 ± 0.0009 Å
• α: 90°
• β: 105.654 ± 0.008°
• γ: 90°
• Cell volume: 1585.8 ± 0.2 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1147
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections: 0.1824
• Weighted residual factors for significantly intense reflections: 0.1378
• Goodness-of-fit parameter for all reflections: 1.1
• Goodness-of-fit parameter for significantly intense reflections: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No