Crystallography Open Database

Information card for entry 7125913

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Coordinates	7125913.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H101 Mg2 O12
Calculated formula	C69 H101 Mg2 O12
Title of publication	Stabilization of Grignard reagents by a pillar[5]arene host - Schlenk equilibria and Grignard reactions.
Authors of publication	Shen, Lingyi; Zhao, Yanxia; Dai, Dihua; Yang, Ying-Wei; Wu, Biao; Yang, Xiao-Juan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	9
Pages of publication	1381 - 1384
a	13.392 ± 0.004 Å
b	21.18 ± 0.006 Å
c	23.936 ± 0.007 Å
α	90°
β	96.985 ± 0.004°
γ	90°
Cell volume	6739 ± 3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153.15 K
Number of distinct elements	4
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	0.1677
Residual factor for significantly intense reflections	0.0976
Weighted residual factors for significantly intense reflections	0.2524
Weighted residual factors for all reflections included in the refinement	0.3098
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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