Crystallography Open Database

Information card for entry 2213024

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Structure parameters

Chemical name	Ethyl 8,13-dioxo-8,13-dihydrobenz[5,6]indolo[2,1-a]isoquinoline-14-carboxylate
Formula	C23 H15 N O4
Calculated formula	C23 H15 N O4
SMILES	O(C(=O)c1c2n(ccc3ccccc23)c2c1C(=O)c1ccccc1C2=O)CC
Title of publication	Ethyl 8,13-dioxo-8,13-dihydrobenz[5,6]indolo[2,1-<i>a</i>]isoquinoline-14-carboxylate
Authors of publication	Yun Liu; Jian-Hua Xu; Mohd Mustaqim Rosli; Hoong-Kun Fun
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	4
Pages of publication	o1902 - o1903
a	7.0913 ± 0.0001 Å
b	10.5435 ± 0.0001 Å
c	11.2808 ± 0.0001 Å
α	79.55 ± 0.001°
β	86.68 ± 0.001°
γ	79.737 ± 0.001°
Cell volume	815.887 ± 0.016 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0488
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1215
Weighted residual factors for all reflections included in the refinement	0.1271
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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