Crystallography Open Database

Information card for entry 1554985

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Coordinates	1554985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H22 B11 Cl6 N
Calculated formula	C25 H22 B11 Cl6 N
Title of publication	Peraryl-X-onium ions of nitrogen and oxygen
Authors of publication	Lu, Mengsi; Allemann, Oliver; Xu, Jun; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.
Journal of publication	Organic Chemistry Frontiers
Year of publication	2019
Journal volume	6
Journal issue	15
Pages of publication	2640
a	18.70332 ± 0.00019 Å
b	18.4574 ± 0.0003 Å
c	18.4002 ± 0.00017 Å
α	90°
β	90°
γ	90°
Cell volume	6352.02 ± 0.14 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160.15 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0779
Weighted residual factors for all reflections included in the refinement	0.0833
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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