Crystallography Open Database

Information card for entry 2204376

2204375 << 2204376 >> 2204377

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Structure parameters

Chemical name	5-Benzyl-8-(E)-benzylidene-6,7,7a,10a-tetrahydro-5H-cis- cyclopenta[5,6]pyrano[3,3-c]quinolin-6-one
Formula	C29 H23 N O2
Calculated formula	C29 H23 N O2
SMILES	n1(c2c(c3O[C@H]4[C@H](C(=C\c5ccccc5)\C=C4)Cc3c1=O)cccc2)Cc1ccccc1.n1(c2c(c3O[C@@H]4[C@@H](C(=C\c5ccccc5)\C=C4)Cc3c1=O)cccc2)Cc1ccccc1
Title of publication	5-Benzyl-8-(<i>E</i>)-benzylidene-6,7,7a,10a-tetrahydro-5<i>H</i>-<i>cis</i>-cyclopenta[5,6]pyrano[3,3-<i>c</i>]quinolin-6-one
Authors of publication	S.Aravindan; N.Sampath; M.N.Ponnuswamy; N.Kalaivasan; R.Raghunathan; M.Nethaji
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	10
Pages of publication	o1699 - o1701
a	8.422 ± 0.002 Å
b	10.585 ± 0.003 Å
c	12.866 ± 0.003 Å
α	79.879 ± 0.004°
β	76.281 ± 0.004°
γ	79.042 ± 0.004°
Cell volume	1083.6 ± 0.5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.0846
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.121
Weighted residual factors for all reflections included in the refinement	0.132
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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