Crystallography Open Database

Information card for entry 7709461

Preview

Coordinates	7709461.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	PB-242.EI
Formula	C20 H30 N O8 P W
Calculated formula	C20 H30 N O8 P W
SMILES	[W]([P]1(ON2C(CCCC2(C)C)(C)C)OC(C(O1)(C)C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
Title of publication	1,3,2-Diheterophospholane complexes: access to new tuneable precursors of phosphanoxyl complexes and P-functional polymers
Authors of publication	Brehm, Philipp; Müller-Feyen , Anne Sophie; Schnakenburg, Gregor; Streubel, R.
Journal of publication	Dalton Transactions
Year of publication	2022
a	11.104 ± 0.0002 Å
b	14.0762 ± 0.0002 Å
c	15.5766 ± 0.0003 Å
α	90°
β	93.904 ± 0.002°
γ	90°
Cell volume	2429.01 ± 0.07 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
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	0.028
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0598
Weighted residual factors for all reflections included in the refinement	0.0611
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
272905 (current)	2022-02-11	cif/ Adding structures of 7709456, 7709457, 7709458, 7709459, 7709460, 7709461 via cif-deposit CGI script.	7709461.cif