Crystallography Open Database

Information card for entry 3000574

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	methyl 2-((4'-cyano-[1,1' biphenyl]-4-yl)oxy)ethanate (CN-Bi-1-S-M)
Formula	C16 H13 N O3
Authors of publication	Zugenmaier
Journal of publication	To be published in Crystals
a	10.775 ± 0.002 Å
b	8.291 ± 0.002 Å
c	15.753 ± 0.003 Å
α	90°
β	104.85 ± 0.005°
γ	90°
Cell volume	1360.3 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0427
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1133
Weighted residual factors for all reflections included in the refinement	0.1156
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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.