Crystallography Open Database

Information card for entry 1520688

1520687 << 1520688 >> 1520689

Preview

Coordinates	1520688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H34 O12
Title of publication	Synthesis and Stereochemistry of Some New 1,3-Dioxane Derivatives of 1,4-Benzenedicarbaldehyde
Authors of publication	Grosu, Ion; Mager, Sorin; Toupet, Loic; Ple, Gerard; Mesaros, Eugen; Mihis, Alin
Journal of publication	Acta Chemica Scandinavica
Year of publication	1998
Journal volume	52
Pages of publication	366 - 371
a	12.875 ± 0.002 Å
b	9.547 ± 0.004 Å
c	12.027 ± 0.001 Å
α	90°
β	115.29 ± 0.01°
γ	90°
Cell volume	1336.6 ± 0.6 Å³
Ambient diffraction temperature	294 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.042
Goodness-of-fit parameter for all reflections included in the refinement	0.79
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520688.cif
175419	2016-02-02	cif/ Replacing parameters of a dummy hydrogen atom with question mark in order for the structure to be identified as having no coordinates.	1520688.cif
139751	2015-06-29	cif/ Adding structures of 1520688 via cif-deposit CGI script.	1520688.cif