Crystallography Open Database

Information card for entry 7133625

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Coordinates	7133625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H16 N2 O
Calculated formula	C23 H16 N2 O
Title of publication	Ag(I)-catalyzed diastereoselective oxidative cyclopropanation of prochiral alkyne-tethered 1,3-dicarbonitriles.
Authors of publication	Navaneetha, N.; Munakala, Anandarao; Chegondi, Rambabu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	77
Pages of publication	10708 - 10711
a	9.5854 ± 0.0007 Å
b	17.6825 ± 0.0013 Å
c	21.0981 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	3576 ± 0.4 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
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	0.0909
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1273
Weighted residual factors for all reflections included in the refinement	0.1586
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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