Crystallography Open Database

Information card for entry 4035708

Preview

Coordinates	4035708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H26 B F2 N3
Calculated formula	C29 H26 B F2 N3
SMILES	F[B]1(F)n2c3c(c(c4[nH]c5ccccc5c4c3c3[n]1c(C)ccc3)CCCCC)c1ccccc21
Title of publication	Synthesis of Indolo[3,2- b]carbazole-Based Boron Complexes with Tunable Photophysical and Electrochemical Properties.
Authors of publication	Mula, Soumyaditya; Leclerc, Nicolas; Lévêque, Patrick; Retailleau, Pascal; Ulrich, Gilles
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	23
Pages of publication	14406 - 14418
a	24.1507 ± 0.0018 Å
b	12.2214 ± 0.0009 Å
c	7.8434 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2315 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0428
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
227157 (current)	2019-11-11	cif/ Adding structures of 4035708 via cif-deposit CGI script.	4035708.cif