Crystallography Open Database

Information card for entry 3000578

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	6-(4-nitrophenoxy)hexanoic acid (NO2-Ph-5-S)
Formula	C24 H30 N2 O10
Authors of publication	Zugenmaier
Journal of publication	To be published in Crystals
a	13.745 ± 0.001 Å
b	14.38 ± 0.002 Å
c	26.31 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5200.3 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.12
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.