Crystallography Open Database

Information card for entry 2240682

Preview

Structure parameters

Chemical name	2-(11-Oxo-10<i>H</i>,11<i>H</i>-indeno[1,2-<i>b</i>]chromen-10-yl)-2,3-dihydro-1<i>H</i>-indene-1,3-dione
Formula	C25 H14 O4
Calculated formula	C25 H14 O4
SMILES	O1C2=C(C(c3c1cccc3)C1C(=O)c3ccccc3C1=O)C(=O)c1ccccc21
Title of publication	Crystal structure of 2-(11-oxo-10<i>H</i>,11<i>H</i>-indeno[1,2-<i>b</i>]chromen-10-yl)-2,3-dihydro-1<i>H</i>-indene-1,3-dione
Authors of publication	Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Abdelhamid, Antanr A.; Albayati, Mustafa R.
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	5
Pages of publication	o333 - o334
a	8.7409 ± 0.0002 Å
b	14.474 ± 0.0003 Å
c	14.2774 ± 0.0003 Å
α	90°
β	101.141 ± 0.001°
γ	90°
Cell volume	1772.28 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
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	0.0377
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0872
Weighted residual factors for all reflections included in the refinement	0.0899
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181906 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06	2240682.cif 2240682.hkl
136464	2015-05-13	cif/ hkl/ Adding structures of 2240682 via cif-deposit CGI script.	2240682.cif 2240682.hkl