Crystallography Open Database

Information card for entry 4029074

Preview

Coordinates	4029074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H50 N4
Calculated formula	C44 H50 N4
Title of publication	Locked planarity: a strategy for tailoring ladder-type π-conjugated anilido-pyridine boron difluorides.
Authors of publication	Hao, Qingshan; Yu, Shuai; Li, Shayu; Chen, Jinping; Zeng, Yi; Yu, Tianjun; Yang, Guoqiang; Li, Yi
Journal of publication	The Journal of organic chemistry
Year of publication	2014
Journal volume	79
Journal issue	1
Pages of publication	459 - 464
a	16.821 ± 0.003 Å
b	27.947 ± 0.006 Å
c	36.187 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	17011 ± 6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	22
Hermann-Mauguin space group symbol	F 2 2 2
Hall space group symbol	F 2 2
Residual factor for all reflections	0.1054
Residual factor for significantly intense reflections	0.0855
Weighted residual factors for significantly intense reflections	0.2139
Weighted residual factors for all reflections included in the refinement	0.2349
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4029074.html