Crystallography Open Database

Information card for entry 7715980

Preview

Coordinates	7715980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 N2 Si2
Calculated formula	C34 H32 N2 Si2
SMILES	[Si]1(C)(C)c2c(N(c3c1cccc3)c1cc(N3c4c([Si](C)(C)c5c3cccc5)cccc4)ccc1)cccc2
Title of publication	Borylation and rearrangement reactions of azasilaanthracenes to afford B,N-doped nanographenes.
Authors of publication	Zender, Elena; Valverde, Danillo; Neubaur, Robert; Karger, Sebastian; Virovets, Alexander; Bolte, Michael; Lerner, Hans-Wolfram; Olivier, Yoann; Wagner, Matthias
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	22
Pages of publication	9294 - 9300
a	33.9 ± 0.003 Å
b	12.1623 ± 0.0007 Å
c	15.9963 ± 0.0011 Å
α	90°
β	117.866 ± 0.008°
γ	90°
Cell volume	5830.5 ± 0.9 Å³
Cell temperature	238 ± 2 K
Ambient diffraction temperature	238 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0796
Residual factor for significantly intense reflections	0.0537
Weighted residual factors for significantly intense reflections	0.1321
Weighted residual factors for all reflections included in the refinement	0.1486
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
293020 (current)	2024-07-05	cif/ Updating files of 7715973, 7715974, 7715975, 7715976, 7715977, 7715978, 7715979, 7715980, 7715981 Original log message: Adding full bibliography for 7715973--7715981.cif.	7715980.cif
291778	2024-05-09	cif/ Adding structures of 7715973, 7715974, 7715975, 7715976, 7715977, 7715978, 7715979, 7715980, 7715981 via cif-deposit CGI script.	7715980.cif