Crystallography Open Database

Information card for entry 2203418

2203417 << 2203418 >> 2203419

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Structure parameters

Chemical name	3-[(7-Acetoxy-4-methylcoumarin-8-yl)methyl]sydnone
Formula	C15 H12 N2 O6
Calculated formula	C15 H12 N2 O6
Title of publication	3-[(7-Acetoxy-4-methylcoumarin-8-yl)methyl]sydnone
Authors of publication	Thamotharan, S.; Parthasarathi, V.; Mallur, Shanta, G.; Kamble, Ravindra, R.; Badami, Bharati; Linden, Anthony
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	4
Pages of publication	o701 - o702
a	11.5067 ± 0.0003 Å
b	13.1916 ± 0.0003 Å
c	9.1773 ± 0.0002 Å
α	90°
β	95.621 ± 0.0009°
γ	90°
Cell volume	1386.34 ± 0.06 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 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	0.1033
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1278
Weighted residual factors for all reflections included in the refinement	0.1507
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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