Crystallography Open Database

Information card for entry 4507075

Preview

Coordinates	4507075.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H31 N3 O5
Calculated formula	C21 H33 N3 O6
Title of publication	Mechanism of Dehydration‒Hydration Processes of Lisinopril Dihydrate Investigated by ab Initio Powder X-ray Diffraction Analysis
Authors of publication	Fujii, Kotaro; Uekusa, Hidehiro; Itoda, Naoko; Yonemochi, Etsuo; Terada, Katsuhide
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	12
Pages of publication	6165
a	14.66805 ± 0.00034 Å
b	5.91244 ± 0.00011 Å
c	14.22565 ± 0.0003 Å
α	90°
β	112.881 ± 0.0013°
γ	90°
Cell volume	1136.63 ± 0.04 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
RFsqd	0.10815
Goodness-of-fit parameter for all reflections	2.27
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.20025 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179606 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/70.	4507075.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507075.cif
71952	2013-01-21	cif/ Adding structures of 4507075 via cif-deposit CGI script.	4507075.cif