Crystallography Open Database

Information card for entry 2239080

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Structure parameters

Chemical name	(4<i>S</i>)-3-Methyl-5,6,7,8-tetrahydro-4<i>H</i>-spiro[[1,2]oxazolo[5,4-<i>b</i>]quinoline-4,3'-indole]-2',5-dione
Formula	C18 H15 N3 O3
Calculated formula	C18 H15 N3 O3
SMILES	c1(c2c(NC3=C(C(=O)CCC3)C32c2ccccc2NC3=O)on1)C
Title of publication	(4<i>S</i>)-3-Methyl-5,6,7,8-tetrahydro-4<i>H</i>-spiro[[1,2]oxazolo[5,4-<i>b</i>]quinoline-4,3'-indole]-2',5-dione
Authors of publication	Govindan, E.; Yuvaraj, P. S.; Reddy, B. S. R.; Bangaru Sudarsan Alwar, S.; SubbiahPandi, A.
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	2
Pages of publication	o168
a	10.916 ± 0.0003 Å
b	11.9027 ± 0.0003 Å
c	12.4848 ± 0.0004 Å
α	90°
β	111.602 ± 0.001°
γ	90°
Cell volume	1508.21 ± 0.07 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	0.0566
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1266
Weighted residual factors for all reflections included in the refinement	0.1355
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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