Crystallography Open Database

Information card for entry 7157581

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Coordinates	7157581.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H17 Cl
Calculated formula	C23 H17 Cl
Title of publication	Gold-catalyzed dual C-C bond cleavage of biphenylenes bearing a pendant alkyne at ambient temperature.
Authors of publication	Takano, Hideaki; Okazaki, Sari; Nishibe, Shun; Ito, Takeharu; Shiozawa, Natsumi; Sugimura, Natsuhiko; Kanyiva, Kyalo Stephen; Shibata, Takanori
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	30
Pages of publication	5826 - 5831
a	19.2706 ± 0.0014 Å
b	4.9741 ± 0.0004 Å
c	33.688 ± 0.002 Å
α	90°
β	102.847 ± 0.007°
γ	90°
Cell volume	3148.3 ± 0.4 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1933
Residual factor for significantly intense reflections	0.0883
Weighted residual factors for significantly intense reflections	0.132
Weighted residual factors for all reflections included in the refinement	0.1586
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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