Crystallography Open Database

Information card for entry 7160347

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Coordinates	7160347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H23 N O5 S
Calculated formula	C16 H23 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	7.4892 ± 0.0003 Å
b	12.0747 ± 0.0005 Å
c	18.9252 ± 0.001 Å
α	90°
β	98.818 ± 0.005°
γ	90°
Cell volume	1691.17 ± 0.13 Å³
Cell temperature	100 ± 0.3 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0779
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1715
Weighted residual factors for all reflections included in the refinement	0.1807
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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.	7160347.cif