Crystallography Open Database

Information card for entry 2005565

2005564 << 2005565 >> 2005566

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Original IUCr paper	HTML

Structure parameters

Chemical name	9-(2-Nitrophenyl)-3,3',6,6'-tetramethylhexahydroacridin-1,8-dione
Formula	C23 H26 N2 O4
Calculated formula	C23 H26 N2 O4
SMILES	O=C1CC(C)(C)CC2=C1C(C1=C(N2)CC(C)(C)CC1=O)c1c(N(=O)=O)cccc1
Title of publication	3,3,6,6-Tetramethyl-9-(2-nitrophenyl)-3,4,5,6,9,10-hexahydroacridine-1,8(2<i>H</i>,7<i>H</i>)-dione
Authors of publication	Brito-Arias, M.; Ramirez, G.; Rivas, R. E.; Molins, E.; Maniukiewicz, W.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	11
Pages of publication	2811 - 2814
a	26.542 ± 0.004 Å
b	10.089 ± 0.001 Å
c	20.922 ± 0.003 Å
α	90°
β	133.07 ± 0.02°
γ	90°
Cell volume	4092.8 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1022
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for all reflections	0.2188
Weighted residual factors for significantly intense reflections	0.1722
Goodness-of-fit parameter for all reflections	0.996
Goodness-of-fit parameter for significantly intense reflections	1.07
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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