Crystallography Open Database

Information card for entry 1577368

Preview

Coordinates	1577368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H68 B Br N2 O
Calculated formula	C53 H68 B Br N2 O
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	10.5889 ± 0.0002 Å
b	20.4928 ± 0.0003 Å
c	11.9029 ± 0.0003 Å
α	90°
β	111.939 ± 0.002°
γ	90°
Cell volume	2395.84 ± 0.09 Å³
Cell temperature	150.01 ± 0.1 K
Ambient diffraction temperature	150.01 ± 0.1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0452
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1244
Weighted residual factors for all reflections included in the refinement	0.1255
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation probe	x-ray
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.	1577368.cif