Crystallography Open Database

Information card for entry 1507375

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Structure parameters

Formula	C8 H11 N O3
Calculated formula	C8 H11 N O3
SMILES	O1[C@@H]([C@@H]2OC(=O)N[C@@]2(C=C1)C)C
Title of publication	A synthesis of L-vancosamine derivatives from non-carbohydrate precursors by a short sequence based on the Marshall, McDonald, and Du Bois reactions.
Authors of publication	Parker, Kathlyn A.; Chang, Wonsuk
Journal of publication	Organic letters
Year of publication	2003
Journal volume	5
Journal issue	21
Pages of publication	3891 - 3893
a	6.436 ± 0.003 Å
b	10.506 ± 0.004 Å
c	12.647 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	855.1 ± 0.6 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.3521
Residual factor for significantly intense reflections	0.0892
Weighted residual factors for significantly intense reflections	0.1443
Weighted residual factors for all reflections included in the refinement	0.2084
Goodness-of-fit parameter for all reflections included in the refinement	0.655
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.	1507375.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.	1507375.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507375.cif
53869	2012-04-20	cif/ Adding structures of 1507375 via cif-deposit CGI script.	1507375.cif