Crystallography Open Database

Information card for entry 4115971

Preview

Coordinates	4115971.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tetranaphthalene acetonitrile solvent
Formula	C42 H27 N
Calculated formula	C42 H24 N
Title of publication	D2-Symmetric Dimer of 1,1'-Binaphthyl and Its Chiral π-Conjugated Carbodianion
Authors of publication	Andrzej Rajca; Andrej Safronov; Suchada Rajca; Jirawat Wongsriratanakul
Journal of publication	Journal of the American Chemical Society
Year of publication	2000
Journal volume	122
Pages of publication	3351 - 3357
a	18.158 ± 0.003 Å
b	9.0659 ± 0.0013 Å
c	9.6297 ± 0.0011 Å
α	90°
β	92.14 ± 0.01°
γ	90°
Cell volume	1584.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0662
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.1183
Weighted residual factors for all reflections included in the refinement	0.1318
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	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/4115971.html