Crystallography Open Database

Information card for entry 7159368

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Coordinates	7159368.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H32 N O P
Calculated formula	C34 H32 N O P
Title of publication	New P,N<sub>sp3</sub> ligands for palladium-catalyzed asymmetric allylic substitutions.
Authors of publication	Su, Qin; Hou, Chuan-Jin; Wei, De-Quan; Qin, Hao; Liang, Ding-Hua; Hu, Xiang-Ping
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	23
Pages of publication	4874 - 4880
a	8.6002 ± 0.0016 Å
b	15.401 ± 0.003 Å
c	10.5083 ± 0.0019 Å
α	90°
β	92.277 ± 0.005°
γ	90°
Cell volume	1390.7 ± 0.5 Å³
Cell temperature	298.15 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0291
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0788
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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