Crystallography Open Database

Information card for entry 1560112

Preview

Coordinates	1560112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H32 O5 P2 Si2 W
Calculated formula	C37 H32 O5 P2 Si2 W
SMILES	[W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P]12c3c(cccc3C=C([Si](C)(C)c3ccccc3)P2c2ccccc2)C=C1[Si](C)(C)c1ccccc1
Title of publication	Sterically constrained tricyclic phosphine: redox behaviour, reductive and oxidative cleavage of P‒C bonds, generation of a dilithium phosphaindole as a promising synthon in phosphine chemistry
Authors of publication	Brand, Alexander; Schulz, Stephen; Hepp, Alexander; Weigand, Jan J.; Uhl, Werner
Journal of publication	Chemical Science
Year of publication	2021
Journal volume	12
Journal issue	10
Pages of publication	3460 - 3474
a	10.6448 ± 0.0013 Å
b	12.9069 ± 0.0016 Å
c	26.22 ± 0.003 Å
α	90°
β	92.664 ± 0.004°
γ	90°
Cell volume	3598.5 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.0554
Weighted residual factors for all reflections included in the refinement	0.0575
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
263678 (current)	2021-04-05	cif/ Updating files of 1560111, 1560112, 1560113, 1560114 Original log message: Adding full bibliography for 1560111--1560114.cif.	1560112.cif
261044	2021-01-19	cif/ Adding structures of 1560111, 1560112, 1560113, 1560114 via cif-deposit CGI script.	1560112.cif