Information card for entry 1548562

Structure parameters

• Formula: C23 H27 N O4
• Calculated formula: C23 H27 N O4
• SMILES: O[C@H]1CC[C@]2([C@H]([C@]1(C)C(=O)O)CCc1c2cc2c3ccccc3[nH]c2c1)C.O
• Title of publication: Total synthesis and antiviral activity of indolosesquiterpenoids from the xiamycin and oridamycin families
• Authors of publication: Zhanchao Meng; Haixin Yu; Li Li; Wanyin Tao; Hao Chen; Ming Wan; Peng Yang; David J. Edmonds; Jin Zhong; Ang Li
• Journal of publication: Nature Communications
• Year of publication: 2015
• Journal volume: 6
• Pages of publication: 6096
• a: 7.3863 ± 0.0015 Å
• b: 6.6732 ± 0.0013 Å
• c: 19.53 ± 0.004 Å
• α: 90°
• β: 90.68 ± 0.03°
• γ: 90°
• Cell volume: 962.6 ± 0.3 ų
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No