Information card for entry 4501474

Structure parameters

• Common name: 09047b
• Formula: C24 H27 N O3
• Calculated formula: C24 H27 N O3
• SMILES: O(c1cc2c(cc1OC)c1cc(OC)ccc1c1c2CN2CCCC[C@@H]2C1)C
• Title of publication: Total Syntheses and Cytotoxicity of (R)- and (S)-Boehmeriasin A.
• Authors of publication: Leighty, Matthew W.; Georg, Gunda I.
• Journal of publication: ACS medicinal chemistry letters
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 4
• Pages of publication: 313 - 315
• a: 13.378 ± 0.003 Å
• b: 6.5197 ± 0.0012 Å
• c: 22.033 ± 0.004 Å
• α: 90°
• β: 93.028 ± 0.003°
• γ: 90°
• Cell volume: 1919 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0617
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No