Crystallography Open Database

Information card for entry 4024338

Preview

Coordinates	4024338.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H25 N O3
Calculated formula	C16 H24 N O3
SMILES	O1[C@@H]2C(=N[C@@H](C1=O)[C@H](O)C(C)C)[C@H]1CC[C@@]2(C1(C)C)C
Title of publication	Diastereo- and Enantioselective Synthesis of β-Hydroxy-α-Amino Acids: Application to the Synthesis of a Key Intermediate for Lactacystin
Authors of publication	Qiong Li; Shao-Bo Yang; Zhihui Zhang; Lei Li; Peng-Fei Xu
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	1627 - 1631
a	9.937 ± 0.006 Å
b	13.512 ± 0.007 Å
c	12.023 ± 0.007 Å
α	90°
β	100.595 ± 0.009°
γ	90°
Cell volume	1586.9 ± 0.1 Å³
Cell temperature	173.2 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 significantly intense reflections	0.0429
Weighted residual factors for all reflections included in the refinement	0.0556
Goodness-of-fit parameter for all reflections included in the refinement	1.3
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4024338.cif
120074	2014-07-11	Adding DOIs to range 4/02 structures.	4024338.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4024338.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4024338.cif
948	2010-01-19	cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition.	4024338.cif