Crystallography Open Database

Information card for entry 3000130

Preview

No preview available: structure is on hold until 2017-10-31

Coordinates	Coordinates are not available: structure is on hold until 2017-10-31

Structure parameters

Common name	quinuclidinum 2,6-dichloro-4-nitrophenolate
Formula	C13 H16 Cl2 N2 O3
Authors of publication	Anna Olejniczak
Journal of publication	To be published
a	11.9779 ± 0.0006 Å
b	11.4024 ± 0.0005 Å
c	11.2258 ± 0.0007 Å
α	90°
β	105.862 ± 0.005°
γ	90°
Cell volume	1474.8 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0426
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.0858
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	No
Has disorder	No
Has F_obs	No

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