Crystallography Open Database

Information card for entry 1565054

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Coordinates	1565054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H53 B Cl F24 P
Calculated formula	C66 H53 B Cl F24 P
Title of publication	Chelation-Assisted C-C Bond Activation of Biphenylene by Gold(I) Halides
Authors of publication	Beucher, Helene; Schoergenhumer, Johannes; Merino, Estíbaliz; Nevado, Cristina
Journal of publication	Chemical Science
Year of publication	2021
a	18.60588 ± 0.00014 Å
b	12.96449 ± 0.00011 Å
c	25.8472 ± 0.0003 Å
α	90°
β	92.3246 ± 0.0008°
γ	90°
Cell volume	6229.62 ± 0.1 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0858
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for significantly intense reflections	0.2114
Weighted residual factors for all reflections included in the refinement	0.2209
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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

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