Crystallography Open Database

Information card for entry 1552835

Preview

Coordinates	1552835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H37 P
Calculated formula	C41 H37 P
SMILES	P(c1c(C)cccc1CC(c1ccccc1)(c1ccccc1)c1ccccc1)(C)C(c1ccccc1)c1ccccc1
Title of publication	An Addition‒Isomerization Mechanism for the Anionic Polymerization of MesP═CPh2 and m-XylP═CPh2
Authors of publication	Rawe, Benjamin W.; Priegert, Andrew M.; Wang, Shuai; Schiller, Carl; Gerke, Sonja; Gates, Derek P.
Journal of publication	Macromolecules
Year of publication	2018
Journal volume	51
Journal issue	7
Pages of publication	2621
a	12.623 ± 0.007 Å
b	15.369 ± 0.01 Å
c	16.556 ± 0.01 Å
α	90°
β	102.684 ± 0.014°
γ	90°
Cell volume	3134 ± 3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90.15 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0608
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.1269
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation probe	x-ray
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
227468 (current)	2019-11-12	cif/ Adding structures of 1552834, 1552835 via cif-deposit CGI script.	1552835.cif