Crystallography Open Database

Information card for entry 7210429

Preview

Coordinates	7210429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H21 N5 O11
Calculated formula	C14 H21 N5 O11
Title of publication	Simultaneously enhancing the solubility and permeability of acyclovir by crystal engineering approach
Authors of publication	Yan, Yan; Chen, Jia-Mei; Lu, Tong-Bu
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	33
Pages of publication	6457
a	21.3178 ± 0.0015 Å
b	6.4895 ± 0.0005 Å
c	29.435 ± 0.002 Å
α	90°
β	103.906 ± 0.008°
γ	90°
Cell volume	3952.7 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0672
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1408
Goodness-of-fit parameter for all reflections included in the refinement	0.981
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
180435 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/04.	7210429.cif
87622	2013-08-27	cif/ Adding structures of 7210427, 7210428, 7210429 via cif-deposit CGI script.	7210429.cif