Information card for entry 4024307

Structure parameters

• Formula: C24 H22 Cl N3 O3
• Calculated formula: C24 H22 Cl N3 O3
• Title of publication: Synthetic Approaches to the Microtubule-Stabilizing Sponge Alkaloid Ceratamine A and Desbromo Analogues
• Authors of publication: Matt Nodwell; Alban Pereira; Jenna L. Riffell; Carla Zimmerman; Brian O. Patrick; Michel Roberge; Raymond J. Andersen
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 995 - 1006
• a: 8.8404 ± 0.0014 Å
• b: 9.4642 ± 0.0016 Å
• c: 13.031 ± 0.002 Å
• α: 94.678 ± 0.007°
• β: 103.672 ± 0.008°
• γ: 92.025 ± 0.008°
• Cell volume: 1054.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0433
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No