Crystallography Open Database

Information card for entry 2009905

2009904 << 2009905 >> 2009906

Preview

Coordinates	2009905.cif
Original IUCr paper	HTML

Structure parameters

Formula	C28 H32 O4
Calculated formula	C28 H4 O4
SMILES	O(C1(OC)C=C(/C=C/c2ccc(cc2)C)C(OC)(OC)C=C1/C=C/c1ccc(cc1)C)C
Title of publication	Three tetramethylketals of 2,5-distyryl-[1,4]benzoquinones
Authors of publication	Irngartinger, H.; Lichenthäler, J.
Journal of publication	Acta Crystallographica Section C
Year of publication	1994
Journal volume	50
Journal issue	7
Pages of publication	1154 - 1156
a	11.529 ± 0.002 Å
b	11.867 ± 0.002 Å
c	9.592 ± 0.002 Å
α	90°
β	112.18 ± 0.02°
γ	90°
Cell volume	1215.2 ± 0.4 Å³
Cell temperature	293 K
Number of distinct elements	3
Hermann-Mauguin space group symbol	P 1 21/c 1
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.059
Goodness-of-fit parameter for significantly intense reflections	2.3
Diffraction radiation wavelength	0.7107 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/2009905.html