Information card for entry 7150775

Structure parameters

• Formula: C17 H26 N2 O2 S
• Calculated formula: C17 H26 N2 O2 S
• Title of publication: Synthesis and stereochemical determination of batzelladine C methyl ester
• Authors of publication: Butters, Michael; Davies, Christopher D.; Elliott, Mark C.; Hill-Cousins, Joseph; Kariuki, Benson M.; Ooi, Li-ling; Wood, John L.; Wordingham, Stuart V.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 23
• Pages of publication: 5001 - 5009
• a: 8.894 ± 0.0001 Å
• b: 15.573 ± 0.0002 Å
• c: 26.723 ± 0.0004 Å
• α: 106.777 ± 0.001°
• β: 95.504 ± 0.001°
• γ: 92.328 ± 0.001°
• Cell volume: 3518.35 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1367
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No