Crystallography Open Database

Information card for entry 2100263

Preview

Coordinates	2100263.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(E)-[1-(4-methoxyphenyl)-3-phenyl-2-propenylideneamino)oxyacetic acid
Formula	C18 H17 N O4
Calculated formula	C18 H17 N O4
SMILES	OC(=O)CON=C(C=Cc1ccc(OC)cc1)c1ccccc1
Title of publication	Concomitant polymorphism and a temperature-dependent phase change in (<i>E</i>)-[1-(4-methoxyphenyl)-3-phenyl-2-propenylideneamino]oxyacetic acid
Authors of publication	Skakle, Janet M. S.; Low, John N.; Wardell, James L.; Glidewell, Christopher
Journal of publication	Acta Crystallographica Section B
Year of publication	2005
Journal volume	61
Journal issue	3
Pages of publication	321 - 328
a	6.4238 ± 0.0003 Å
b	15.1513 ± 0.0009 Å
c	17.0552 ± 0.0009 Å
α	90°
β	93.167 ± 0.002°
γ	90°
Cell volume	1657.43 ± 0.15 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0931
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.136
Weighted residual factors for all reflections included in the refinement	0.1513
Goodness-of-fit parameter for all reflections included in the refinement	0.984
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.