Information card for entry 1503684

Structure parameters

• Formula: C30 H48 O4
• Calculated formula: C30 H48 O4
• SMILES: O=C1CC[C@]2([C@H](C1(C)C)CC=C1[C@@H]2CC[C@@]2([C@@]1(C[C@H](O)[C@H]2[C@@H]1[C@@H](O)[C@@H](CC1)C(O)(C)C)C)C)C
• Title of publication: Protolimonoids from Melia toosendan.
• Authors of publication: Sang, Yi Shu; Zhou, Chun Yan; Lu, Ai Jun; Yin, Xiao Jin; Min, Zhi Da; Tan, Ren Xiang
• Journal of publication: Journal of natural products
• Year of publication: 2009
• Journal volume: 72
• Journal issue: 5
• Pages of publication: 917 - 920
• a: 7.691 ± 0.0015 Å
• b: 10.688 ± 0.002 Å
• c: 16.499 ± 0.003 Å
• α: 90°
• β: 99.96 ± 0.03°
• γ: 90°
• Cell volume: 1335.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1272
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.1922
• Weighted residual factors for all reflections included in the refinement: 0.26
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No