Crystallography Open Database

Information card for entry 1572945

Preview

Coordinates	1572945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H32 N O5 P Pd S
Calculated formula	C33 H32 N O5 P Pd S
SMILES	[Pd]1([P@@](c2cc(ccc2S(=O)(=O)O1)C)(c1ccccc1c1c(OC)cccc1OC)c1ccccc1)([n]1ccccc1)C
Title of publication	Enhanced mechanical properties of acrylate and 5-vinyl-2-norbornene-based ethylene terpolymers: rational design and synthesis using remotely modulated phosphine–sulfonate palladium complexes
Authors of publication	Li, Yong-Qing; Cao, Gui-Ping; Cao, Yu-Cai
Journal of publication	Polymer Chemistry
Year of publication	2024
Journal volume	15
Journal issue	45
Pages of publication	4662 - 4672
a	11.0896 ± 0.0006 Å
b	12.0006 ± 0.0007 Å
c	22.7952 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3033.6 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	7
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	0.0215
Residual factor for significantly intense reflections	0.0215
Weighted residual factors for significantly intense reflections	0.0567
Weighted residual factors for all reflections included in the refinement	0.0568
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
296717 (current)	2024-12-06	cif/ Updating files of 1572945, 1572946 Original log message: Adding full bibliography for 1572945--1572946.cif.	1572945.cif
295619	2024-10-25	cif/ Adding structures of 1572945, 1572946 via cif-deposit CGI script.	1572945.cif