Crystallography Open Database

Information card for entry 7716182

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Coordinates	7716182.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H46 N2
Calculated formula	C41 H46 N2
Title of publication	Zinc amidinate-catalysed cyclization reaction of carbodiimide and alkynes. An insight into the mechanism.
Authors of publication	Parra-Cadenas, Blanca; Ginés, Carlos; García-Vivó, Daniel; Elorriaga, David; Carrillo-Hermosilla, Fernando
Journal of publication	Dalton Transactions
Year of publication	2024
a	18.7643 ± 0.0007 Å
b	17.8153 ± 0.0007 Å
c	20.5885 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	6882.6 ± 0.4 Å³
Cell temperature	250 K
Ambient diffraction temperature	250 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0646
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.1197
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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