Crystallography Open Database

Information card for entry 4510815

Preview

Coordinates	4510815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H27 N3 O12
Calculated formula	C27 H27 N3 O12
SMILES	O=C(O)c1cc(O)cc(O)c1.O=C(O)c1cc(O)cc(O)c1.O.N1C(=O)C(N2Cc3c(N)cccc3C2=O)CCC1=O
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	9.3808 ± 0.0007 Å
b	9.452 ± 0.0007 Å
c	15.2326 ± 0.0009 Å
α	96.684 ± 0.005°
β	97.284 ± 0.005°
γ	105.658 ± 0.006°
Cell volume	1273.88 ± 0.16 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0566
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1373
Weighted residual factors for all reflections included in the refinement	0.1489
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54178 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.	4510815.cif
119061	2014-07-05	cif/ Updating files of 4510815, 4510816, 4510817 Original log message: Adding full bibliography for 4510815--4510817.cif.	4510815.cif
113226	2014-05-09	cif/ Adding structures of 4510815 via cif-deposit CGI script.	4510815.cif