Information card for entry 7223081

Structure parameters

• Formula: C27 H40 O7
• Calculated formula: C27 H38 O7
• SMILES: O=C1O[C@]([C@@H]2[C@@]3([C@](C4=C([C@@](CCC(=O)O)([C@@H](C[C@@H]4O)C(=C)C)C)C(=O)C3)(CC2)C)C)(CC1)C.O
• Title of publication: Ganocochlearic Acid A, A Rearranged Hexanorlanostane Triterpenoid, and Cytotoxic Triterpenoids from the Fruiting Bodies of Ganoderma cochlear
• Authors of publication: Peng, xingrong; Wang, Xia; Zhou, lin; Hou, Bo; Zuo, Zhi-Li; Qiu, Minghua
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.1696 ± 0.0008 Å
• b: 11.5686 ± 0.0009 Å
• c: 13.0762 ± 0.0008 Å
• α: 89.962 ± 0.004°
• β: 89.807 ± 0.002°
• γ: 87.127 ± 0.004°
• Cell volume: 1234.28 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1913
• Weighted residual factors for all reflections included in the refinement: 0.1976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No