Information card for entry 1557721

Structure parameters

• Formula: C32 H41 F6 Mn N7 O7 S2
• Calculated formula: C32 H41 F6 Mn N7 O7 S2
• Title of publication: Continuous Process Improvement in the Manufacture of Carfilzomib, Part 2: An Improved Process for Synthesis of the Epoxyketone Warhead
• Authors of publication: Beaver, Matthew G.; Shi, Xianqing; Riedel, Jan; Patel, Parth; Zeng, Alicia; Corbett, Michael T.; Robinson, Jo Anna; Parsons, Andrew T.; Cui, Sheng; Baucom, Kyle; Lovette, Michael A.; Içten, Elçin; Brown, Derek B.; Allian, Ayman; Flick, Tawnya G.; Chen, Wendy; Yang, Ning; Walker, Shawn D.
• Journal of publication: Organic Process Research & Development
• Year of publication: 2020
• Journal volume: 24
• Journal issue: 4
• Pages of publication: 490 - 499
• a: 9.2868 ± 0.0002 Å
• b: 18.0311 ± 0.0003 Å
• c: 22.9054 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3835.54 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.075
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No