Crystallography Open Database

Information card for entry 4030007

Preview

Coordinates	4030007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H23 Cl3 N O6 P
Calculated formula	C18 H23 Cl3 N O6 P
Title of publication	Further Evidence on the Favorable Role of the Anomeric Effect on the Cleavage of HepDirect and Cyclophosphamide Prodrugs.
Authors of publication	Sartillo-Piscil, Fernando; Quintero, Leticia; Cruz-Gregorio, Silvano; Espinosa-Aguirre, Javier; Elinos-Baez, Carmen M; Höpfl, Herbert; Serrano, Abel
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	20
Pages of publication	9647 - 9654
a	11.2788 ± 0.0011 Å
b	12.8154 ± 0.0013 Å
c	14.632 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2114.9 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.04
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
178479 (current)	2016-03-21	cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/00.	4030007.cif
127129	2014-11-12	cif/ Updating files of 4030007, 4030008 Original log message: Adding full bibliography for 4030007--4030008.cif.	4030007.cif
125037	2014-10-07	cif/ Adding structures of 4030007 via cif-deposit CGI script.	4030007.cif