Crystallography Open Database

Information card for entry 4515029

Preview

Structure parameters

Formula	C42 H42 B3 N3
Calculated formula	C42 H42 B3 N3
SMILES	Cc1cccc(C)c1B1N(B(N(B(N1c1ccccc1)c1c(C)cccc1C)c1ccccc1)c1c(C)cccc1C)c1ccccc1
Title of publication	Structural Properties of Highly Doped Borazino Polyphenylenes Obtained through Condensation Reaction.
Authors of publication	Dosso, Jacopo; Marinelli, Davide; Demitri, Nicola; Bonifazi, Davide
Journal of publication	ACS omega
Year of publication	2019
Journal volume	4
Journal issue	5
Pages of publication	9343 - 9351
a	12.091 ± 0.002 Å
b	21.639 ± 0.004 Å
c	13.768 ± 0.003 Å
α	90°
β	101.26 ± 0.03°
γ	90°
Cell volume	3532.9 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0325
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.0899
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	Synchrotron
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/4515029.html