Crystallography Open Database

Information card for entry 7243352

Preview

Coordinates	7243352.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N,N-dimethyl-2'-((1R,3S,5S,7R)-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphaadamantan-8-yl)-[1,1'-biphenyl]-2-amine
Formula	C24 H30 N O3 P
Calculated formula	C24 H30 N O3 P
SMILES	P1([C@@]2(O[C@]3(O[C@](O[C@@]1(C3)C)(C2)C)C)C)c1ccccc1c1ccccc1N(C)C.P1([C@]2(O[C@@]3(O[C@@](O[C@]1(C3)C)(C2)C)C)C)c1ccccc1c1ccccc1N(C)C
Title of publication	Evaluation of P-bridged biaryl phosphine ligands in palladium-catalysed Suzuki–Miyaura cross-coupling reactions
Authors of publication	Lamola, Jairus L.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	43
Pages of publication	26883 - 26891
a	23.219 ± 0.002 Å
b	8.4649 ± 0.0008 Å
c	24.795 ± 0.002 Å
α	90°
β	110.975 ± 0.002°
γ	90°
Cell volume	4550.4 ± 0.7 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0438
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.091
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298328 (current)	2025-03-07	cif/7: Fixing Z values and formulae	7243352.cif
267972	2021-08-06	cif/ Adding structures of 7243349, 7243350, 7243351, 7243352 via cif-deposit CGI script.	7243352.cif