Crystallography Open Database

Information card for entry 2000721

2000720 << 2000721 >> 2000722

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Original IUCr paper	HTML

Structure parameters

Chemical name	2-(4-methylphenyl)-1H-indene-1,3(2H)-dione
Formula	C16 H12 O2
Calculated formula	C16 H12 O2
SMILES	O=C1C(c2ccc(cc2)C)C(=O)c2c1cccc2
Title of publication	Structure of 2-(4-methylphenyl)-1<i>H</i>-indene-1,3(2<i>H</i>)-dione
Authors of publication	Kolev, T.; Preut, H.; Bleckmann, P.; Juchnovski, I.
Journal of publication	Acta Crystallographica Section C
Year of publication	1992
Journal volume	48
Journal issue	8
Pages of publication	1547 - 1549
a	8.465 ± 0.002 Å
b	6.062 ± 0.001 Å
c	11.901 ± 0.002 Å
α	90°
β	95.78 ± 0.01°
γ	90°
Cell volume	607.6 ± 0.2 Å³
Cell temperature	293 ± 1 K
Ambient diffraction temperature	293 ± 1 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.043
Goodness-of-fit parameter for significantly intense reflections	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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