Crystallography Open Database

Information card for entry 1573794

Preview

Coordinates	1573794.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H55.93 B2 Br0.07 N2 O0
Calculated formula	C80 H55.931 B2 Br0.069 N2
Title of publication	Synthesis of highly fluorescent helical quinolizinium salts by a Rh-catalyzed cyclotrimerization/C-H activation sequence.
Authors of publication	Cadart, Timothée; Feriancová, Lucia; Henke, Petr; Gyepes, Robert; Císařová, Ivana; Kalíková, Květa; Kotora, Martin
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	24
Pages of publication	4662 - 4665
a	25.5585 ± 0.0007 Å
b	9.9428 ± 0.0003 Å
c	24.0807 ± 0.0007 Å
α	90°
β	91.408 ± 0.002°
γ	90°
Cell volume	6117.6 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1064
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1224
Weighted residual factors for all reflections included in the refinement	0.1413
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298748 (current)	2025-04-05	cif/ Updating files of 1573791, 1573792, 1573793, 1573794, 1573795 Original log message: Adding full bibliography for 1573791--1573795.cif.	1573794.cif
297503	2025-01-29	cif/ Adding structures of 1573791, 1573792, 1573793, 1573794, 1573795 via cif-deposit CGI script.	1573794.cif