Information card for entry 7155196

Structure parameters

• Formula: C30 H46 O3
• Calculated formula: C30 H46 O3
• SMILES: O1[C@@]2([C@@H]3[C@H](C(C3)(C)C)CC/C(=C/CC2)C)C[C@H](CC(C)C)C2=C1C(C(=O)C(C2=O)(C)C)(C)C
• Title of publication: Rhodomentones A and B, novel meroterpenoids with unique NMR characteristics from Rhodomyrtus tomentosa.
• Authors of publication: Liu, Hong-Xin; Chen, Kai; Yuan, Yao; Xu, Zhi-Fang; Tan, Hai-Bo; Qiu, Sheng-Xiang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 30
• Pages of publication: 7354 - 7360
• a: 11.82201 ± 0.00013 Å
• b: 19.9887 ± 0.0002 Å
• c: 23.1114 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5461.38 ± 0.11 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No