Crystallography Open Database

Information card for entry 7160348

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Coordinates	7160348.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H19 N O5 S
Calculated formula	C14 H19 N O5 S
Title of publication	Chemodivergent Synthesis of cis-4-Hydroxyprolines from Diastereomerically Enriched Epoxides
Authors of publication	DaSilva, Clement; Mauk, Grace; Forshee, Lucas; Pope, Oliver; Doherty, Mathilde; Ongbongan, Max; Lutz, Nicholas; Kamanya, Zemirah; Bhatt, Chris; Braham, Andrew; Kubek, Miranda; Hawthorne, Summer; Campillo-Alvarado, Gonzalo; Bhattacharjee, Avik; Bowring, Miriam A.; O'Brien, Robert Vincent
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2025
a	11.497 ± 0.0017 Å
b	20.881 ± 0.003 Å
c	6.4271 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1542.9 ± 0.4 Å³
Cell temperature	99.97 ± 0.16 K
Ambient diffraction temperature	99.97 ± 0.16 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1056
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.103
Weighted residual factors for all reflections included in the refinement	0.1127
Goodness-of-fit parameter for all reflections included in the refinement	0.983
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
297513 (current)	2025-01-29	cif/ Adding structures of 7160347, 7160348, 7160349, 7160350 via cif-deposit CGI script.	7160348.cif