Crystallography Open Database

Information card for entry 7048319

Preview

Coordinates	7048319.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 Cl5 O W
Calculated formula	C19 H15 Cl5 O W
Title of publication	Straightforward formation of carbocations from tertiary carboxylic acids via CO release at room temperature.
Authors of publication	Bartalucci, Niccolò; Bortoluzzi, Marco; Zacchini, Stefano; Pampaloni, Guido; Marchetti, Fabio
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	5
Pages of publication	1574 - 1577
a	14.275 ± 0.002 Å
b	7.9205 ± 0.0011 Å
c	18.698 ± 0.003 Å
α	90°
β	103.08 ± 0.002°
γ	90°
Cell volume	2059.2 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0441
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0845
Weighted residual factors for all reflections included in the refinement	0.0875
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
224003 (current)	2019-11-07	cif/ Updating files of 7048319, 7048320 Original log message: Adding full bibliography for 7048319--7048320.cif.	7048319.cif
212483	2018-12-08	cif/ Adding structures of 7048319, 7048320 via cif-deposit CGI script.	7048319.cif