Crystallography Open Database

Information card for entry 1507074

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Structure parameters

Formula	C17 H28 N4 O5
Calculated formula	C17 H28 N4 O5
SMILES	O1C[C@H](OC1(C)C)[C@@H]1OC(O[C@H]1[C@@H](NC(=O)C)[C@H](N=N#N)CC=C)(C)C
Title of publication	Synthesis of 4-azido-4-deoxy-Neu5,7,8,9Ac42en1Me. A key intermediate for the synthesis of GG167 from D-glucono-delta-lactone.
Authors of publication	Liu, Ke-Gang; Yan, Shi; Wu, Yu-Lin; Yao, Zhu-Jun
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	13
Pages of publication	2269 - 2272
a	20.959 ± 0.002 Å
b	9.5785 ± 0.0009 Å
c	10.3711 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2082.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.15
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.0616
Weighted residual factors for all reflections included in the refinement	0.0759
Goodness-of-fit parameter for all reflections included in the refinement	0.693
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.	1507074.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.	1507074.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507074.cif
51654	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507074 via cif-deposit CGI script.	1507074.cif