Information card for entry 2227221

Structure parameters

• Chemical name: Cabraleahydroxylactone
• Formula: C27 H44 O3
• Calculated formula: C27 H44 O3
• SMILES: O=C1CC[C@@](O1)(C)[C@H]1CC[C@@]2([C@@H]1CC[C@H]1[C@@]2(C)CC[C@@H]2[C@]1(C)CC[C@H](C2(C)C)O)C
• Title of publication: Cabraleahydroxylactone from the leaves of <i>Aglaia exima</i>
• Authors of publication: Loong, Xe Min; Mohamad, Khalit; Awang, Khalijah; A. Hadi, A. Hamid; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2541
• a: 7.2077 ± 0.0005 Å
• b: 20.8363 ± 0.0015 Å
• c: 30.464 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4575.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.063
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes