Crystallography Open Database

Information card for entry 7716185

Preview

Coordinates	7716185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H56 N2 O2
Calculated formula	C49 H56 N2 O2
Title of publication	Zinc amidinate-catalysed cyclization reaction of carbodiimides 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 (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	24
Pages of publication	10050 - 10054
a	9.426 ± 0.002 Å
b	10.912 ± 0.002 Å
c	21.672 ± 0.005 Å
α	102.253 ± 0.003°
β	97.132 ± 0.003°
γ	103.187 ± 0.003°
Cell volume	2085.7 ± 0.8 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1216
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.143
Weighted residual factors for all reflections included in the refinement	0.1779
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
292995 (current)	2024-07-05	cif/ Updating files of 7716182, 7716183, 7716184, 7716185 Original log message: Adding full bibliography for 7716182--7716185.cif.	7716185.cif
292075	2024-05-29	cif/ Adding structures of 7716182, 7716183, 7716184, 7716185 via cif-deposit CGI script.	7716185.cif