Crystallography Open Database

Information card for entry 4512521

Preview

Coordinates	4512521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H35 N5 O9 P
Calculated formula	C21 H33 N5 O9 P
Title of publication	Expanding the Crystal Form Landscape of the Antiviral Drug Adefovir Dipivoxil
Authors of publication	Prohens, Rafel; Barbas, Rafael; Portell, Anna; Font-Bardia, Mercè; Alcobé, Xavier; Puigjaner, Cristina
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	1
Pages of publication	475
a	10.555 ± 0.007 Å
b	12.005 ± 0.007 Å
c	13.366 ± 0.006 Å
α	108.71 ± 0.03°
β	113.68 ± 0.03°
γ	98.42 ± 0.04°
Cell volume	1393.1 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1114
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.1542
Weighted residual factors for all reflections included in the refinement	0.1717
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179672 (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 4/51/25.	4512521.cif
130457	2015-02-04	cif/ Updating files of 4512519, 4512520, 4512521, 4512522 Original log message: Adding full bibliography for 4512519--4512522.cif.	4512521.cif
129099	2014-12-30	cif/ Adding structures of 4512521 via cif-deposit CGI script.	4512521.cif