Information card for entry 1553396

Structure parameters

• Formula: C26 H44 O10
• Calculated formula: C26 H44 O10
• SMILES: [C@@H]12C[C@H](C([C@]1([C@@H](C[C@]13[C@H](C2=C)CC[C@H](C1)[C@](C3)(C)O)O)O)(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O.O
• Title of publication: Grayanane Diterpenoid Glucosides from the Leaves of Rhododendron micranthum and Their Bioactivities Evaluation.
• Authors of publication: Sun, Na; Zhu, Yan; Zhou, Haofeng; Zhou, Junfei; Zhang, Hanqi; Zhang, Mengke; Zeng, Hong; Yao, Guangmin
• Journal of publication: Journal of natural products
• Year of publication: 2018
• Journal volume: 81
• Journal issue: 12
• Pages of publication: 2673 - 2681
• a: 12.2958 ± 0.0004 Å
• b: 6.6149 ± 0.0002 Å
• c: 15.8066 ± 0.0005 Å
• α: 90°
• β: 92.789 ± 0.001°
• γ: 90°
• Cell volume: 1284.11 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0422
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No