Crystallography Open Database

Information card for entry 1540625

Preview

Coordinates	1540625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H21 O5 P W
Calculated formula	C32 H21 O5 P W
SMILES	C(#[O])[W](C#[O])(C#[O])(C#[O])(C#[O])[P]1(c2ccccc2C(=C1c1ccc(cc1)C)c1ccccc1)c1ccccc1
Title of publication	Intramolecular, Pd/Cu-Co-catalyzed P-C Bond Cleavage and Addition onto an Alkyne: A Route to Benzophospholes.
Authors of publication	Zhou, Yang; Gan, Zhenjie; Su, Bo; Li, Jun; Duan, Zheng; Mathey, François
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	22
Pages of publication	5722 - 5724
a	11.521 ± 0.0004 Å
b	11.9824 ± 0.0004 Å
c	20.383 ± 0.0006 Å
α	90°
β	98.02 ± 0.003°
γ	90°
Cell volume	2786.34 ± 0.16 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 K
Number of distinct elements	5
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	0.046
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0562
Weighted residual factors for all reflections included in the refinement	0.061
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
170773 (current)	2015-12-06	cif/ Adding structures of 1540625 via cif-deposit CGI script.	1540625.cif