Crystallography Open Database

Information card for entry 2006595

2006594 << 2006595 >> 2006596

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Structure parameters

Chemical name	2-[3-Nitro-phenyl]-[1,3]dioxolane
Formula	C9 H9 N O4
Calculated formula	C9 H9 N O4
SMILES	C1(OCCO1)c1cc(N(=O)=O)ccc1
Title of publication	2-(3-Nitrophenyl)-1,3-dioxolane at 150K
Authors of publication	Bolte, Michael; Marx, Raimund; Scholtyssik, Maria
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	10
Pages of publication	1464 - 1466
a	7.8931 ± 0.0002 Å
b	11.9354 ± 0.0003 Å
c	18.0705 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1702.37 ± 0.07 Å³
Cell temperature	133 K
Ambient diffraction temperature	133 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0316
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for all reflections	0.08
Weighted residual factors for significantly intense reflections	0.0785
Goodness-of-fit parameter for all reflections	1.056
Goodness-of-fit parameter for significantly intense reflections	1.095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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