Crystallography Open Database

Information card for entry 4135392

Preview

Coordinates	4135392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H37 N3 O P2
Calculated formula	C40 H37 N3 O P2
Title of publication	Enthalpy-Controlled Insertion of a "Nonspectator" Tricoordinate Phosphorus Ligand into Group 10 Transition Metal-Carbon Bonds.
Authors of publication	Hwang, Seung Jun; Tanushi, Akira; Radosevich, Alexander T.
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	51
Pages of publication	21285 - 21291
a	18.9534 ± 0.0009 Å
b	8.4688 ± 0.0004 Å
c	21.9113 ± 0.0011 Å
α	90°
β	107.14 ± 0.0018°
γ	90°
Cell volume	3360.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1159
Residual factor for significantly intense reflections	0.0942
Weighted residual factors for significantly intense reflections	0.2307
Weighted residual factors for all reflections included in the refinement	0.2543
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
260425 (current)	2021-01-04	cif/ Updating files of 4135390, 4135391, 4135392, 4135393 Original log message: Adding full bibliography for 4135390--4135393.cif.	4135392.cif
259845	2020-12-13	cif/ Adding structures of 4135392 via cif-deposit CGI script.	4135392.cif