Crystallography Open Database

Information card for entry 4135114

Preview

Coordinates	4135114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 Br6
Calculated formula	C18 Br6
Title of publication	Synthesis of Cyclo[18]carbon via Debromination of C<sub>18</sub>Br<sub>6</sub>.
Authors of publication	Scriven, Lorel M.; Kaiser, Katharina; Schulz, Fabian; Sterling, Alistair J.; Woltering, Steffen L.; Gawel, Przemyslaw; Christensen, Kirsten E.; Anderson, Harry L.; Gross, Leo
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	30
Pages of publication	12921 - 12924
a	21.6885 ± 0.0016 Å
b	13.647 ± 0.004 Å
c	12.5084 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	3702.3 ± 1.2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	2
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.2032
Residual factor for significantly intense reflections	0.1297
Weighted residual factors for all reflections	0.372
Weighted residual factors for significantly intense reflections	0.2958
Weighted residual factors for all reflections included in the refinement	0.372
Goodness-of-fit parameter for all reflections included in the refinement	0.9687
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257120 (current)	2020-10-04	cif/ Updating files of 4135114 Original log message: Adding full bibliography for 4135114.cif.	4135114.cif
254772	2020-08-04	cif/ Updating files of 4135114 Original log message: Adding full bibliography for 4135114.cif.	4135114.cif
254319	2020-07-16	cif/ Adding structures of 4135114 via cif-deposit CGI script.	4135114.cif