Information card for entry 1502010

Structure parameters

• Formula: C36 H38 N5 O3 S
• Calculated formula: C36 H38 N5 O3 S
• Title of publication: Diversity-oriented approach to pyrrole-imidazole alkaloid frameworks.
• Authors of publication: Bhandari, Manojkumar R.; Yousufuddin, Muhammed; Lovely, Carl J.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 1382 - 1385
• a: 9.6362 ± 0.0009 Å
• b: 11.6135 ± 0.0011 Å
• c: 14.9611 ± 0.0014 Å
• α: 68.844 ± 0.002°
• β: 89.865 ± 0.002°
• γ: 85.494 ± 0.002°
• Cell volume: 1556 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1086
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.2144
• Weighted residual factors for all reflections included in the refinement: 0.2308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.717
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No