Information card for entry 4129647

Structure parameters

• Formula: C28 H35 N O
• Calculated formula: C28 H35 N O
• SMILES: O1[C@H]2C3=C([C@H]4[C@@]5(C2)[C@@](CC[C@H]4C)([C@@H](CC[C@H]15)C)C)c1c2c([nH]c1)cccc2C3(C)C
• Title of publication: Total Synthesis of Epoxyeujindole A.
• Authors of publication: Lu, Zhaohong; Li, Hailong; Bian, Ming; Li, Ang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 43
• Pages of publication: 13764 - 13767
• a: 9.0368 ± 0.0002 Å
• b: 11.3775 ± 0.0003 Å
• c: 22.1398 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2276.33 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0429
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No