Crystallography Open Database

Information card for entry 7155129

Preview

Coordinates	7155129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H12 N2 O3
Calculated formula	C11 H12 N2 O3
SMILES	N1(N)[C@@H]2C[C@H](O[C@@H]2OC1=O)c1ccccc1
Title of publication	From racemic precursors to fully stereocontrolled products: one-pot synthesis of chiral α-amino lactones and lactams.
Authors of publication	You, Zhi-Hao; Chen, Ying-Han; Liu, Yan-Kai
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	26
Pages of publication	6316 - 6327
a	5.4617 ± 0.0003 Å
b	8.2109 ± 0.0005 Å
c	23.4585 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1052.01 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0599
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1115
Weighted residual factors for all reflections included in the refinement	0.1229
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
185629 (current)	2016-08-07	cif/ Updating files of 7155128, 7155129 Original log message: Adding full bibliography for 7155128--7155129.cif.	7155129.cif
183204	2016-06-01	cif/ Adding structures of 7155128, 7155129 via cif-deposit CGI script.	7155129.cif