Crystallography Open Database

Information card for entry 7708829

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Coordinates	7708829.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H55 N O4
Calculated formula	C35 H55 N O4
Title of publication	Amino acid-derived bisphenolate palladium complexes as C-C coupling catalysts
Authors of publication	Fazekas, Eszter; Jenkins, David T.; Forbes, Andrew A.; Gallagher, Brendan; Rosair, Georgina; McIntosh, Ruaraidh D.
Journal of publication	Dalton Transactions
Year of publication	2021
a	9.0824 ± 0.0001 Å
b	11.7694 ± 0.0002 Å
c	31.5208 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3369.4 ± 0.09 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0265
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0693
Weighted residual factors for all reflections included in the refinement	0.0696
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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