Information card for entry 1512156

Structure parameters

• Formula: C15 H16 O5
• Calculated formula: C15 H16 O5
• SMILES: C1(=O)c2cc(c(cc2C2(O1)OC(=O)C(C2)(C)C)OC)C
• Title of publication: Bioactive Compounds from the Roots of Strophioblachia fimbricalyx.
• Authors of publication: Seephonkai, Prapairat; Pyne, Stephen G.; Willis, Anthony C.; Lie, Wilford
• Journal of publication: Journal of natural products
• Year of publication: 2013
• Journal volume: 76
• Journal issue: 7
• Pages of publication: 1358 - 1364
• a: 5.3256 ± 0.0008 Å
• b: 10.2108 ± 0.0014 Å
• c: 12.4179 ± 0.0017 Å
• α: 85.023 ± 0.007°
• β: 82.234 ± 0.008°
• γ: 89.645 ± 0.009°
• Cell volume: 666.54 ± 0.16 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1139
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections: 0.2208
• Weighted residual factors for significantly intense reflections: 0.1989
• Weighted residual factors for all reflections included in the refinement: 0.2208
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No