Crystallography Open Database

Information card for entry 7113369

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Structure parameters

Formula	C18 H27 N O11
Calculated formula	C18 H27 N O11
SMILES	O1[C@@H](OC)[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1COC(=O)C)[C@H](NC(=O)C)C(=O)OC
Title of publication	Short and stereoselective synthesis of C-glycosylated glycine derivatives from glycals by radical addition and reduction.
Authors of publication	Sommermann, Thomas; Kim, Boo Geun; Peters, Karl; Peters, Eva-Maria; Linker, Torsten
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2004
Journal issue	22
Pages of publication	2624 - 2625
a	10.287 ± 0.002 Å
b	10.734 ± 0.002 Å
c	10.614 ± 0.002 Å
α	90°
β	107.24 ± 0.01°
γ	90°
Cell volume	1119.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0649
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1381
Weighted residual factors for all reflections included in the refinement	0.1419
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7113369.cif
180247	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/33.	7113369.cif
114601	2014-05-28	cif/ Adding structures of 7113369 via cif-deposit CGI script.	7113369.cif