Crystallography Open Database

Information card for entry 7159160

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Coordinates	7159160.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 N2 O2
Calculated formula	C28 H20 N2 O2
Title of publication	Diyne-steered switchable regioselectivity in cobalt(II)-catalysed C(sp<sup>2</sup>)-H activation of amides with unsymmetrical 1,3-diynes.
Authors of publication	Dhillon, Prakriti; Anaspure, Prasad; Wiklander, Jesper G.; Kathiravan, Subban; Nicholls, Ian A.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	9
Pages of publication	1942 - 1951
a	7.0317 ± 0.0004 Å
b	18.8318 ± 0.0012 Å
c	8.3435 ± 0.0006 Å
α	90°
β	99.423 ± 0.002°
γ	90°
Cell volume	1089.93 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1154
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1175
Weighted residual factors for all reflections included in the refinement	0.1502
Goodness-of-fit parameter for all reflections included in the refinement	0.968
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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