Information card for entry 2010776

Structure parameters

• Common name: Costuslactone-B
• Chemical name: 3,6,10-trimethyl-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[1,2-b]furan-2,9-dione
• Formula: C15 H20 O3
• Calculated formula: C15 H20 O3
• SMILES: O1[C@H]2C=C(C(=O)CC=C(CC[C@@H]2[C@@H](C1=O)C)C)C
• Title of publication: Costuslactone B
• Authors of publication: Wang, Qiguang; Zhou, Baofan; Zhai, Jianjun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 3
• Pages of publication: 369 - 370
• a: 5.553 ± 0.001 Å
• b: 12.34 ± 0.001 Å
• c: 20.875 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1430.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.033
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes