Crystallography Open Database

Information card for entry 1574013

Preview

Coordinates	1574013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H74 B Li2 N O4 Se
Calculated formula	C45 H74 B Li2 N O4 Se
Title of publication	Harnessing transient CAAC-stabilized mesitylborylenes for chalcogen activation.
Authors of publication	Michel, Maximilian; Endres, Lukas; Fantuzzi, Felipe; Krummenacher, Ivo; Braunschweig, Holger
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	13
Pages of publication	5632 - 5639
a	10.7762 ± 0.0002 Å
b	16.8779 ± 0.0003 Å
c	24.5726 ± 0.0003 Å
α	81.439 ± 0.001°
β	86.226 ± 0.001°
γ	88.794 ± 0.001°
Cell volume	4409.59 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0703
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.153
Weighted residual factors for all reflections included in the refinement	0.1619
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Diffraction radiation X-ray symbol	K-L~2,3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298805 (current)	2025-04-05	cif/ Updating files of 1574010, 1574011, 1574012, 1574013, 1574014, 1574015, 1574016, 1574017, 1574018, 1574019 Original log message: Adding full bibliography for 1574010--1574019.cif.	1574013.cif
297909	2025-02-28	cif/ Adding structures of 1574010, 1574011, 1574012, 1574013, 1574014, 1574015, 1574016, 1574017, 1574018, 1574019 via cif-deposit CGI script.	1574013.cif