Crystallography Open Database

Information card for entry 1505144

Preview

Coordinates	1505144.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 O6
Calculated formula	C24 H26 O6
SMILES	CCOc1ccc(cc1)COC(=O)/C=C\C=C/C(=O)OCc1ccc(cc1)OCC
Title of publication	Reaction Mechanism Based on X-ray Crystal Structure Analysis during the Solid-State Polymerization of Muconic Esters
Authors of publication	Furukawa, Daisuke; Matsumoto, Akikazu
Journal of publication	Macromolecules
Year of publication	2007
Journal volume	40
Journal issue	17
Pages of publication	6048
a	40.046 ± 0.019 Å
b	5.616 ± 0.003 Å
c	9.632 ± 0.005 Å
α	90°
β	91.05 ± 0.04°
γ	90°
Cell volume	2165.9 ± 1.9 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 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	0.1417
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1288
Weighted residual factors for all reflections included in the refinement	0.1517
Goodness-of-fit parameter for all reflections included in the refinement	0.985
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1505144.html