Crystallography Open Database

Information card for entry 1568239

Preview

Coordinates	1568239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H36 N2 Si2
Calculated formula	C34 H36 N2 Si2
SMILES	Cn1cc(c2cc(ccc12)c1cc2c(cn(C)c2cc1)[Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1
Title of publication	Synthesis of fluorescent poly(silyl indole)s via borane-catalyzed C–H silylation of indoles
Authors of publication	Zhang, Sutao; Han, Yuxi; He, Jianghua; Zhang, Yuetao
Journal of publication	Polymer Chemistry
Year of publication	2023
Journal volume	14
Journal issue	4
Pages of publication	492 - 499
a	8.4884 ± 0.0006 Å
b	11.5493 ± 0.0009 Å
c	15.4564 ± 0.0012 Å
α	89.802 ± 0.002°
β	82.731 ± 0.002°
γ	77.808 ± 0.002°
Cell volume	1468.77 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0834
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1039
Weighted residual factors for all reflections included in the refinement	0.1178
Goodness-of-fit parameter for all reflections included in the refinement	1.01
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281607 (current)	2023-03-04	cif/ Updating files of 1568238, 1568239 Original log message: Adding full bibliography for 1568238--1568239.cif.	1568239.cif
280140	2023-01-06	cif/ Adding structures of 1568238, 1568239 via cif-deposit CGI script.	1568239.cif