Crystallography Open Database

Information card for entry 2009903

2009902 << 2009903 >> 2009904

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Coordinates	2009903.cif
Original IUCr paper	HTML

Structure parameters

Formula	C26 H28 O4
Calculated formula	C26 H28 O4
SMILES	COC1(OC)C=C(/C=C/c2ccccc2)C(C=C1/C=C/c1ccccc1)(OC)OC
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	7.657 ± 0.001 Å
b	11.535 ± 0.002 Å
c	6.46 ± 0.001 Å
α	95.08 ± 0.01°
β	101.03 ± 0.02°
γ	98.18 ± 0.01°
Cell volume	550.38 ± 0.15 Å³
Cell temperature	293 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 significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.05
Goodness-of-fit parameter for significantly intense reflections	2.11
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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