Information card for entry 7160013

Structure parameters

• Formula: C30 H36 N2 O5 S
• Calculated formula: C30 H36 N2 O5 S
• Title of publication: Chloroformate-Mediated Ring Cleavage of Indole Alkaloids Leads to Re-engineered Antiplasmodial Agents
• Authors of publication: Schultz, Daniel C.; Chávez-Riveros, Alejandra; Goertzen, Michael; Brummel, Beau R.; Paes, Raphaella A.; Santos, Natalia M.; Tenneti, Srinivasarao; Abboud, Khalil A.; Rocca, James; Seabra, Gustavo; Li, Chenglong; Chakrabarti, Debopam; Huigens III, Robert W.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• a: 9.7448 ± 0.0003 Å
• b: 14.0034 ± 0.0005 Å
• c: 19.658 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2682.54 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No