Crystallography Open Database

Information card for entry 7243351

Preview

Coordinates	7243351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H23 P
Calculated formula	C20 H23 P
SMILES	P1(c2ccccc2c2ccccc2)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	14.554 ± 0.002 Å
b	7.222 ± 0.0011 Å
c	31.176 ± 0.004 Å
α	90°
β	97.878 ± 0.005°
γ	90°
Cell volume	3246 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0495
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.098
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
297561 (current)	2025-02-01	cif/7 Fixing Z values and formulae	7243351.cif
267972	2021-08-06	cif/ Adding structures of 7243349, 7243350, 7243351, 7243352 via cif-deposit CGI script.	7243351.cif