Crystallography Open Database

Information card for entry 7219630

7219629 << 7219630 >> 7219631

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Structure parameters

Formula	C15 H19 N O10
Calculated formula	C15 H19 N O10
SMILES	O([C@H]1[C@H](O[C@@H]2OC(=O)N(C(=O)C)[C@H]12)[C@H](OC(=O)C)COC(=O)C)C(=O)C
Title of publication	One-pot Synthesis of Bicyclic Sugar Oxazolidinone from D-Glucosamine
Authors of publication	Kulkarni, Suvarn S.; Sanapala, Someswara Rao
Journal of publication	RSC Adv.
Year of publication	2015
a	9.809 ± 0.003 Å
b	10.419 ± 0.003 Å
c	16.505 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1686.8 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0415
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.1125
Weighted residual factors for all reflections included in the refinement	0.1216
Goodness-of-fit parameter for all reflections included in the refinement	0.738
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7219630.cif
180527	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/96.	7219630.cif
132204	2015-02-21	cif/ Adding structures of 7219630 via cif-deposit CGI script.	7219630.cif