Crystallography Open Database

Information card for entry 1505584

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Structure parameters

Formula	C14 H20 Cl N O8
Calculated formula	C14 H20 Cl N O8
SMILES	Cl[C@H]1[C@H](O[C@H](COC(=O)C)[C@H](OC(=O)C)[C@@H]1OC(=O)C)NC(=O)C
Title of publication	New method for chloroamidation of olefins. Application in the synthesis of N-glycopeptides and anticancer agents.
Authors of publication	Rawal, Girish K.; Kumar, Amit; Tawar, Urmila; Vankar, Yashwant D.
Journal of publication	Organic letters
Year of publication	2007
Journal volume	9
Journal issue	25
Pages of publication	5171 - 5174
a	8.1991 ± 0.0007 Å
b	8.786 ± 0.0008 Å
c	23.326 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1680.3 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0527
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.0992
Weighted residual factors for all reflections included in the refinement	0.102
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1505584.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1505584.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505584.cif
45750	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505581, 1505582, 1505583, 1505584, 1505585, 1505586 via cif-deposit CGI script.	1505584.cif