Crystallography Open Database

Information card for entry 4519169

4519168 << 4519169 >> 4519170

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Coordinates	4519169.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H28 F7 N2 O2 P Pd
Calculated formula	C33 H28 F7 N2 O2 P Pd
Title of publication	Palladium-Catalyzed β-C(sp3)–H Nitrooxylation of Ketones and Amides Using Practical Oxidants
Authors of publication	Xue, Yuan; Park, Han Seul; Jiang, Chao; Yu, Jin-Quan
Journal of publication	ACS Catalysis
Year of publication	2021
Journal volume	11
Journal issue	22
Pages of publication	14188 - 14193
a	10.224 ± 0.0003 Å
b	15.6567 ± 0.0005 Å
c	20.8337 ± 0.0007 Å
α	102.492 ± 0.001°
β	90.645 ± 0.001°
γ	99.746 ± 0.001°
Cell volume	3205.02 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0496
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.082
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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