Crystallography Open Database

Information card for entry 1508385

Preview

Coordinates	1508385.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H14 O4
Calculated formula	C11 H14 O4
Title of publication	Ethyl 2,6-Dimethoxybenzoate: Synthesis, Spectroscopic and X-ray Crystallographic Analysis
Authors of publication	Khan, Imtiaz; Ibrar, Aliya; White, Jonathan M.
Journal of publication	Crystals
Year of publication	2012
Journal volume	2
Journal issue	2
Pages of publication	521 - 527
a	8.5518 ± 0.0003 Å
b	10.8826 ± 0.0008 Å
c	11.9939 ± 0.0006 Å
α	101.273 ± 0.005°
β	98.287 ± 0.003°
γ	94.092 ± 0.004°
Cell volume	1077.54 ± 0.11 Å³
Cell temperature	130 ± 0.2 K
Ambient diffraction temperature	130 ± 0.2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0581
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.1181
Weighted residual factors for all reflections included in the refinement	0.1262
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508385.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508385.cif
68926	2012-11-25	cif/ Adding structures of 1508385 via cif-deposit CGI script.	1508385.cif