Crystallography Open Database

Information card for entry 1502751

Preview

Coordinates	1502751.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Acrinol anhydrous form I
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	8.04668 ± 0.00025 Å
b	9.35578 ± 0.0002 Å
c	11.91507 ± 0.00022 Å
α	102.436 ± 0.0019°
β	103.177 ± 0.0031°
γ	98.6481 ± 0.0025°
Cell volume	833.92 ± 0.04 Å³
Cell temperature	293 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
RFsqd	0.0842
Goodness-of-fit parameter for all reflections	3.45
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.19712 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1502751.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502751.cif
36698	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502751 via cif-deposit CGI script.	1502751.cif