Crystallography Open Database

Information card for entry 1550431

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Coordinates	1550431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.5 H43 Cl
Calculated formula	C27.5 H43 Cl
Title of publication	Halogenoborane mediated allene cyclooligomerization
Authors of publication	Erker, Gerhard; Tao, Xin; Wölke, Christian; Daniliuc, Constantin Gabriel; Kehr, Gerald
Journal of publication	Chemical Science
Year of publication	2019
a	10.8108 ± 0.0003 Å
b	12.1099 ± 0.0003 Å
c	19.1989 ± 0.0005 Å
α	76.703 ± 0.001°
β	75.176 ± 0.001°
γ	87.966 ± 0.001°
Cell volume	2363.95 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1003
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.1555
Weighted residual factors for all reflections included in the refinement	0.172
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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