Information card for entry 7225172

Structure parameters

• Formula: C16 H17 O6.5
• Calculated formula: C16 H16 O6.5
• SMILES: O.Oc1cc2C(=O)[C@]3(Oc2cc1)C[C@H](CO)[C@H]1OC(=O)[C@@H]3CC1
• Title of publication: Applanatumols A and B, meroterpenoids with unprecedented skeletons from Ganoderma applanatum
• Authors of publication: Luo, Qi; Di, Lei; Yang, Xiao-Hua; Cheng, Yong-Xian
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 51
• Pages of publication: 45963
• a: 7.0996 ± 0.0002 Å
• b: 17.4669 ± 0.0006 Å
• c: 11.5838 ± 0.0004 Å
• α: 90°
• β: 96.25 ± 0.001°
• γ: 90°
• Cell volume: 1427.95 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0539
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No