Information card for entry 1553394

Structure parameters

• Formula: C26.5 H50 O11.5
• Calculated formula: C26.5 H50 O11.5
• SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@]1(C)C[C@@]23CC[C@@]4([C@H](C[C@@H](C4(C)C)O)C(=C)[C@@H]2CC[C@@H]1C3)O)O)O)O)O.CO.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: 6.3352 ± 0.0003 Å
• b: 39.6779 ± 0.0016 Å
• c: 11.4316 ± 0.0005 Å
• α: 90°
• β: 90.621 ± 0.002°
• γ: 90°
• Cell volume: 2873.4 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0723
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1552
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No