Information card for entry 7229291

Structure parameters

• Formula: C27 H33 Br O3
• Calculated formula: C27 H33 Br O3
• SMILES: Brc1ccc(cc1)C(=O)OC[C@]1(C2=C([C@]3(C)[C@@H](CC2)C[C@@](CC3)(C)C=C)CCC1=O)C
• Title of publication: ent-Rosane diterpenoids from Euphorbia milii showing an Epstein–Barr virus lytic replication assay
• Authors of publication: Liu, Shao-Nan; Hu, Jiayuan; Tan, Shen H.; Wang, Qian; Xu, Jun; Wang, Yan; Yuan, Yan; Gu, Qiong
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 74
• Pages of publication: 46938
• a: 5.86059 ± 0.00007 Å
• b: 12.67519 ± 0.00017 Å
• c: 15.73654 ± 0.00019 Å
• α: 90°
• β: 94.4504 ± 0.0011°
• γ: 90°
• Cell volume: 1165.45 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No