Crystallography Open Database

Information card for entry 2006607

2006606 << 2006607 >> 2006608

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Original IUCr paper	HTML

Structure parameters

Chemical name	9-(2-phenylethyl)-3,3,6,6 tetramethyl-3,4,6,7,910-hexahydro-1,8(2H,5H) acridine dione
Formula	C25 H31 N O2
Calculated formula	C25 H31 N O2
SMILES	O=C1CC(CC2=C1C(C1=C(CC(CC1=O)(C)C)N2)CCc1ccccc1)(C)C
Title of publication	3,3,6,6-Tetramethyl-9-(2-phenylethyl)-3,4,6,7,9,10-hexahydro-1,8(2<i>H</i>,5<i>H</i>)-acridinedione
Authors of publication	K. Gunasekaran; D. Velmurugan; P. Murugan
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	10
Pages of publication	1512 - 1514
a	16.657 ± 0.001 Å
b	7.351 ± 0.002 Å
c	18.4 ± 0.002 Å
α	90°
β	108.3 ± 0.01°
γ	90°
Cell volume	2139.1 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0583
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for all reflections	0.1604
Weighted residual factors for significantly intense reflections	0.1386
Goodness-of-fit parameter for all reflections	1.066
Goodness-of-fit parameter for significantly intense reflections	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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