Crystallography Open Database

Information card for entry 7243349

Preview

Coordinates	7243349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H27 O2 P
Calculated formula	C22 H27 O2 P
SMILES	P1(c2c(c3c(OC)cccc3OC)cccc2)C2CCCC1CCC2
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	10.8049 ± 0.0001 Å
b	13.8758 ± 0.0002 Å
c	14.4304 ± 0.0002 Å
α	62.546 ± 0.001°
β	81.232 ± 0.001°
γ	88.055 ± 0.001°
Cell volume	1895.79 ± 0.05 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0366
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0914
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292638 (current)	2024-06-28	cif/7: Fixing Z values and formulae	7243349.cif
267972	2021-08-06	cif/ Adding structures of 7243349, 7243350, 7243351, 7243352 via cif-deposit CGI script.	7243349.cif