Crystallography Open Database

Information card for entry 7129888

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Coordinates	7129888.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H20
Calculated formula	C30 H20
Title of publication	Migratory Insertion of Copper-Allenylidene from Propargyl Ester
Authors of publication	Yao, Qinglin; Liu, Boxiang; Cao, Tongxiang; Zhu, Shifa
Journal of publication	Chemical Communications
Year of publication	2022
a	14.7343 ± 0.0013 Å
b	7.8467 ± 0.0005 Å
c	18.5969 ± 0.0016 Å
α	90°
β	107.975 ± 0.009°
γ	90°
Cell volume	2045.1 ± 0.3 Å³
Cell temperature	169.99 ± 0.1 K
Ambient diffraction temperature	169.99 ± 0.1 K
Number of distinct elements	2
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	0.0569
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.1048
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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