Information card for entry 4034973

Structure parameters

• Formula: C33 H48 O6
• Calculated formula: C33 H48 O6
• SMILES: O(C(=O)C)[C@H]1C(=O)C2[C@]3(O[C@@H](C=2C)[C@@]2([C@@H]3/C=C(\CC[C@]3(O[C@@H]3CC2)C)C(C)C)C)C/C(=C/[C@@H](OC)C[C@@H]1C)C
• Title of publication: Characterization of Sesquiterpene Dimers from Resina Commiphora That Promote Adipose-Derived Stem Cell Proliferation and Differentiation.
• Authors of publication: Liu, Jia-Wang; Zhang, Ming-Yu; Yan, Yong-Ming; Wei, Xiao-Yi; Dong, Lu; Zhu, Yan-Xia; Cheng, Yong-Xian
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 5
• Pages of publication: 2725 - 2733
• a: 8.006 ± 0.0002 Å
• b: 16.9875 ± 0.0005 Å
• c: 22.5448 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3066.14 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0342
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No