Crystallography Open Database

Information card for entry 1557116

Preview

Coordinates	1557116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H88
Calculated formula	C64 H88
Title of publication	A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.
Authors of publication	Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.
Journal of publication	Chemical science
Year of publication	2020
Journal volume	11
Journal issue	8
Pages of publication	2051 - 2057
a	14.635 ± 0.0007 Å
b	18.1373 ± 0.0009 Å
c	22.0161 ± 0.001 Å
α	79.631 ± 0.004°
β	75.201 ± 0.004°
γ	74.12 ± 0.004°
Cell volume	5396.2 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	2
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1246
Residual factor for significantly intense reflections	0.1066
Weighted residual factors for significantly intense reflections	0.2653
Weighted residual factors for all reflections included in the refinement	0.2812
Goodness-of-fit parameter for all reflections included in the refinement	1.106
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1557116.html