Crystallography Open Database

Information card for entry 1577370

Preview

Coordinates	1577370.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C110.5 H140.5 B2 Li2 N4 O2
Calculated formula	C110.5 H140.5 B2 Li2 N4 O2
Title of publication	Xanthene-to-fluorene skeletal editing <i>via</i> oxygen deletion mediated by boron and aluminium radicals.
Authors of publication	Nahon, Emily; Nelmes, Gareth R.; Dallerba, Elena; Lim, Li Feng; Cox, Nicholas; McMullin, Claire L.; Massi, Massimiliano; Kallmeier, Fabian; Hicks, Jamie
Journal of publication	Chemical science
Year of publication	2026
Journal volume	17
Journal issue	21
Pages of publication	10755 - 10761
a	13.72471 ± 0.00006 Å
b	39.48341 ± 0.00013 Å
c	36.19465 ± 0.00013 Å
α	90°
β	97.9261 ± 0.0004°
γ	90°
Cell volume	19426.4 ± 0.13 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0658
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1431
Weighted residual factors for all reflections included in the refinement	0.1494
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
306203 (current)	2026-06-04	cif/ Adding structures of 1577362, 1577363, 1577364, 1577365, 1577366, 1577367, 1577368, 1577369, 1577370, 1577371, 1577372, 1577373 via cif-deposit CGI script.	1577370.cif