Crystallography Open Database

Information card for entry 4503215

Preview

Coordinates	4503215.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 O
Calculated formula	C16 H14 O
Title of publication	Disappearing and Reappearing Polymorphism inp-Methylchalcone
Authors of publication	Barsky, Inna; Bernstein, Joel; Stephens, Peter W.; Stone, Kevin H.; Cheung, Eugene; Hickey, Magali B.; Henck, Jan-Olav
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	1
Pages of publication	63
a	26.2365 ± 0.0009 Å
b	5.8236 ± 0.0002 Å
c	15.5412 ± 0.0005 Å
α	90°
β	101.807 ± 0.001°
γ	90°
Cell volume	2324.31 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0414
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0856
Weighted residual factors for all reflections included in the refinement	0.0922
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179563 (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 4/50/32.	4503215.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4503215.cif
41420	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503215 via cif-deposit CGI script.	4503215.cif