Information card for entry 1543773

Structure parameters

• Formula: C15 H19 O5.5
• Calculated formula: C15 H19 O5.5
• SMILES: O.C1(=CC(=O)C[C@@H]2[C@]1(c1c(cccc1CC2)O)O)OC.O
• Title of publication: Bioactive Phenanthrene and Bibenzyl Derivatives from the Stems of Dendrobium nobile.
• Authors of publication: Zhou, Xue-Ming; Zheng, Cai-Juan; Gan, Li-She; Chen, Guang-Ying; Zhang, Xiao-Peng; Song, Xiao-Ping; Li, Gao-Nan; Sun, Chong-Ge
• Journal of publication: Journal of natural products
• Year of publication: 2016
• Journal volume: 79
• Journal issue: 7
• Pages of publication: 1791 - 1797
• a: 11.0841 ± 0.0002 Å
• b: 20.46 ± 0.0004 Å
• c: 12.6447 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2867.57 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No