Crystallography Open Database

Information card for entry 1502752

Preview

Coordinates	1502752.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Acrinol anhydrous form II
Formula	C18 H21 N3 O4
Calculated formula	C18 H21 N3 O4
Title of publication	Physicochemical Understanding of Polymorphism and Solid-State Dehydration/Rehydration Processes for the Pharmaceutical Material Acrinol, by Ab Initio Powder X-ray Diffraction Analysis and Other Techniques
Authors of publication	Fujii, Kotaro; Uekusa, Hidehiro; Itoda, Naoko; Hasegawa, Gen; Yonemochi, Etsuo; Terada, Katsuhide; Pan, Zhigang; Harris, Kenneth D. M.
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2010
Journal volume	114
Journal issue	1
Pages of publication	580
a	14.0496 ± 0.0005 Å
b	11.80399 ± 0.00019 Å
c	20.9323 ± 0.0008 Å
α	90°
β	100.936 ± 0.0033°
γ	90°
Cell volume	3408.4 ± 0.19 Å³
Cell temperature	293 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
RFsqd	0.08533
Goodness-of-fit parameter for all reflections	3.61
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5406 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1502752.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502752.cif
36699	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502752 via cif-deposit CGI script.	1502752.cif