Crystallography Open Database

Information card for entry 3000579

Preview

No preview available: structure is on hold until 2025-06-19

Coordinates	Coordinates are not available: structure is on hold until 2025-06-19

Structure parameters

Chemical name	1-ethoxy-4-nitrobenzene (NO2-Ph-1)
Formula	C8 H9 N O3
Authors of publication	Zugenmaier
Journal of publication	To be published in Crystals
a	7.498 ± 0.005 Å
b	11.813 ± 0.004 Å
c	9.564 ± 0.007 Å
α	90°
β	105.79 ± 0.03°
γ	90°
Cell volume	815.2 ± 0.9 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.1029
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	No
Has disorder	No
Has F_obs	No

Version history

Not available for prepublication material.