Information card for entry 2200603

Structure parameters

• Formula: C15 H26 O2
• Calculated formula: C15 H26 O2
• SMILES: O[C@]12[C@H](C=C(CC1)C)C(CCC[C@]2(O)C)(C)C
• Title of publication: (1<i>R</i>,6<i>S</i>,7<i>R</i>)-Himachal-2-ène-6,7-diol
• Authors of publication: El Jamili, H.; Auhmani, A.; Dakir, M.; Benharref, A.; Kossareva, E.; Pierrot, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: o904 - o905
• a: 5.9498 ± 0.0002 Å
• b: 9.7014 ± 0.0004 Å
• c: 24.7207 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1426.91 ± 0.09 ų
• Cell temperature: 298 K
• Number of distinct elements: 3
• 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: 0.0488
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes