Crystallography Open Database

Information card for entry 3000581

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	2-((4'-nitro-[1,1' biphenyl]-4-yl)oxy)ethanic acid N,N-dimethylacetamide (NO2-Bi-1-S-DMAc)
Formula	C18 H20 N2 O6
Authors of publication	Zugenmaier
Journal of publication	To be published in Crystals
a	5.936 ± 0.002 Å
b	11.423 ± 0.003 Å
c	14.004 ± 0.003 Å
α	109.41 ± 0.02°
β	91.64 ± 0.02°
γ	96.26 ± 0.02°
Cell volume	888.1 ± 0.4 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	0.0423
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0968
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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.