Crystallography Open Database

Information card for entry 7109860

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Coordinates	7109860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H59 N3 Zn
Calculated formula	C46 H58 N3 Zn
Title of publication	Evidence for the formation of a metal alkyl intermediate in the zinc mediated intramolecular hydroamination
Authors of publication	Sankaranarayana Pillai Sarish; Dirk Schaffner; Yu Sun; Werner R. Thiel
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	9672
a	22.8607 ± 0.0003 Å
b	9.6928 ± 0.0001 Å
c	19.0631 ± 0.0002 Å
α	90°
β	107.309 ± 0.001°
γ	90°
Cell volume	4032.79 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0428
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1051
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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