Crystallography Open Database

Information card for entry 4510816

Preview

Coordinates	4510816.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H17 N5 O4
Calculated formula	C14 H17 N5 O4
SMILES	N1C(=O)C(N2C(=O)c3c(c(N)ccc3)C2)CCC1=O.NC(=O)N
Title of publication	Improving the Solubility of Lenalidomide via Cocrystals
Authors of publication	Song, Jia-Xi; Yan, Yan; Yao, Jia; Chen, Jia-Mei; Lu, Tong-Bu
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	6
Pages of publication	3069
a	13.1592 ± 0.0006 Å
b	9.5499 ± 0.0003 Å
c	13.1773 ± 0.0006 Å
α	90°
β	116.414 ± 0.006°
γ	90°
Cell volume	1483.1 ± 0.13 Å³
Cell temperature	285 ± 14 K
Ambient diffraction temperature	285 ± 14 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0523
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1092
Weighted residual factors for all reflections included in the refinement	0.1165
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
179655 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/08.	4510816.cif
119061	2014-07-05	cif/ Updating files of 4510815, 4510816, 4510817 Original log message: Adding full bibliography for 4510815--4510817.cif.	4510816.cif
113227	2014-05-09	cif/ Adding structures of 4510816 via cif-deposit CGI script.	4510816.cif