Crystallography Open Database

Information card for entry 2242204

Preview

Structure parameters

Chemical name	2-[3-Methoxy-4-(oxiran-2-ylmethoxy)benzyl]oxirane
Formula	C13 H16 O4
Calculated formula	C13 H16 O4
Title of publication	Crystal structure of the diglycidyl ether of eugenol
Authors of publication	Vigier, Jordan; François, Camille; Pourchet, Sylvie; Boni, Gilles; Plasseraud, Laurent; Placet, Vincent; Fontaine, Stéphane; Cattey, Hélène
Journal of publication	Acta Crystallographica Section E
Year of publication	2017
Journal volume	73
Journal issue	5
Pages of publication	694 - 697
a	9.8262 ± 0.0005 Å
b	13.4434 ± 0.0007 Å
c	9.4251 ± 0.0008 Å
α	90°
β	109.897 ± 0.002°
γ	90°
Cell volume	1170.71 ± 0.13 Å³
Cell temperature	115 K
Ambient diffraction temperature	115 K
Number of distinct elements	3
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1208
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2242204.html