Crystallography Open Database

Information card for entry 7717899

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Coordinates	7717899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H34 B N3 O2 Si2
Calculated formula	C16 H34 B N3 O2 Si2
Title of publication	Synthesis of base-free boriranes and their conversion to borirenes using strong reductant.
Authors of publication	Dotzauer, Simon; Kar, Sourav; Swoboda, Theresa; Weidemann, Christoph; Häfner, Andreas; Dewhurst, Rian D.; Braunschweig, Holger
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	9
Pages of publication	3857 - 3862
a	6.2636 ± 0.0002 Å
b	9.1707 ± 0.0003 Å
c	18.6096 ± 0.0006 Å
α	91.745 ± 0.003°
β	91.755 ± 0.002°
γ	94.665 ± 0.003°
Cell volume	1064.34 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0647
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1338
Weighted residual factors for all reflections included in the refinement	0.1407
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
298915 (current)	2025-04-05	cif/ Updating files of 7717899, 7717900, 7717901, 7717902, 7717903, 7717904, 7717905 Original log message: Adding full bibliography for 7717899--7717905.cif.	7717899.cif
297493	2025-01-28	cif/ Adding structures of 7717899, 7717900, 7717901, 7717902, 7717903, 7717904, 7717905 via cif-deposit CGI script.	7717899.cif