Crystallography Open Database

Information card for entry 4115595

Preview

Coordinates	4115595.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 N2 O6
Calculated formula	C25.02 H22.236 N2 O6
Title of publication	In Situ X-ray Observation of Pedal-like Conformational Change and Dimerization of trans-Cinnamamide in Cocrystals with Phthalic Acid
Authors of publication	Shigeru Ohba; Hiroyuki Hosomi; Yoshikatsu Ito
Journal of publication	Journal of the American Chemical Society
Year of publication	2001
Journal volume	123
Pages of publication	6349 - 6352
a	9.507 ± 0.002 Å
b	17.422 ± 0.002 Å
c	7.591 ± 0.002 Å
α	90.68 ± 0.02°
β	105.79 ± 0.02°
γ	75.55 ± 0.01°
Cell volume	1169.5 ± 0.4 Å³
Cell temperature	298 ± 1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.223
Goodness-of-fit parameter for all reflections included in the refinement	1.54
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4115595.html