Crystallography Open Database

Information card for entry 7133373

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Coordinates	7133373.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H26 F N2 O P Pd
Calculated formula	C31 H26 F N2 O P Pd
Title of publication	Pd-catalyzed Suzuki-type cross-coupling of 2-pyridyl carbamoyl fluorides.
Authors of publication	Jabbarpoor, Maryam; LeBlanc, Jesse; Chen, Zichuan; Cadwallader, Dusty; Le, Christine M.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	66
Pages of publication	8700 - 8703
a	9.6832 ± 0.0008 Å
b	11.7011 ± 0.0009 Å
c	13.0161 ± 0.001 Å
α	73.358 ± 0.003°
β	74.524 ± 0.003°
γ	66.061 ± 0.003°
Cell volume	1272.21 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1153
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.09
Weighted residual factors for all reflections included in the refinement	0.1095
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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