Crystallography Open Database

Information card for entry 7156749

Preview

Coordinates	7156749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H16
Calculated formula	C21 H16
Title of publication	Cyclopropane-alkene metathesis by gold(i)-catalyzed decarbenation of persistent cyclopropanes.
Authors of publication	Mato, Mauro; Martín-Torres, Inmaculada; Herlé, Bart; Echavarren, Antonio M.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	17
Pages of publication	4216 - 4219
a	12.6579 ± 0.0007 Å
b	19.8384 ± 0.0011 Å
c	5.6765 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1425.44 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	2
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0475
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.1078
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
225136 (current)	2019-11-08	cif/ Updating files of 7156749 Original log message: Adding full bibliography for 7156749.cif.	7156749.cif
214397	2019-03-28	cif/ Adding structures of 7156749 via cif-deposit CGI script.	7156749.cif