Crystallography Open Database

Information card for entry 7036285

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Coordinates	7036285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69.5 H94 Mg N6
Calculated formula	C69.5 H93.5 Mg N6
Title of publication	Facile kinetic induction of a dihydropyridide to pyrrolide ring contraction.
Authors of publication	Carbery, David R.; Hill, Michael S.; Mahon, Mary F.; Weetman, Catherine
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	14
Pages of publication	5925 - 5928
a	11.177 ± 0.0001 Å
b	25.612 ± 0.0003 Å
c	22.889 ± 0.0003 Å
α	90°
β	96.622 ± 0.001°
γ	90°
Cell volume	6508.61 ± 0.13 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0843
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1173
Weighted residual factors for all reflections included in the refinement	0.1339
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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