Crystallography Open Database

Information card for entry 1557721

Preview

Coordinates	1557721.cif
Original paper (by DOI)	HTML

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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
257168 (current)	2020-10-04	cif/ Updating files of 1557721 Original log message: Adding full bibliography for 1557721.cif.	1557721.cif
251490	2020-05-04	cif/ Updating files of 1557721 Original log message: Adding full bibliography for 1557721.cif.	1557721.cif
249987	2020-04-03	cif/ Adding structures of 1557721 via cif-deposit CGI script.	1557721.cif