Crystallography Open Database

Information card for entry 3000582

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No preview available: structure is on hold until 2025-06-21

Coordinates	Coordinates are not available: structure is on hold until 2025-06-21

Structure parameters

Chemical name	2-(4-nitrophenoxy)acetic acid (NO2-Ph-1S)
Formula	C8 H6.5 N O5
Authors of publication	Zugenmaier
Journal of publication	To be published in Crystals
a	6.9682 ± 0.0009 Å
b	7.6771 ± 0.0009 Å
c	8.3131 ± 0.0009 Å
α	71.47 ± 0.01°
β	88.693 ± 0.008°
γ	84.087 ± 0.009°
Cell volume	419.39 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0422
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.1184
Weighted residual factors for all reflections included in the refinement	0.1217
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Not available for prepublication material.