Information card for entry 7108753

Structure parameters

• Formula: C35 H37 Br Cl2 N2 O7 S
• Calculated formula: C35 H37 Br Cl2 N2 O7 S
• Title of publication: Racemic marinopyrrole B by total synthesis
• Authors of publication: Ping Cheng; Derrick L. J. Clive; Shimal Fernandopulle; Zhenhua Chen
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 558
• a: 9.1565 ± 0.0004 Å
• b: 13.5338 ± 0.0006 Å
• c: 15.7518 ± 0.0007 Å
• α: 65.1442 ± 0.0005°
• β: 83.7108 ± 0.0005°
• γ: 81.8745 ± 0.0005°
• Cell volume: 1750.67 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No