Crystallography Open Database

Information card for entry 4113764

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Structure parameters

Formula	C8 H15 N O5
Calculated formula	C8 H15 N O5
SMILES	O=C(OC)[C@H]1N(CC[C@@H]1O)C(=O)C.O
Title of publication	Effect of 3-Hydroxyproline Residues on Collagen Stability
Authors of publication	Cara L. Jenkins; Lynn E. Bretscher; Ilia A. Guzei; Ronald T. Raines
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	6422 - 6427
a	6.1545 ± 0.0006 Å
b	8.305 ± 0.0009 Å
c	20.807 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1063.51 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0401
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0953
Weighted residual factors for all reflections included in the refinement	0.0975
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
301833 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure.	4113764.cif
178908	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/37.	4113764.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113764.cif
67036	2012-09-18	cif/ Adding structures of 4113764 via cif-deposit CGI script.	4113764.cif