Crystallography Open Database

Information card for entry 7121860

Preview

Coordinates	7121860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H31 F12 N9 P2 Pd
Calculated formula	C32 H31 F12 N9 P2 Pd
Title of publication	Unusual rearrangement of an N-heterocyclic carbene via a ring-opening and ring-closing process.
Authors of publication	Yang, Chu-Fan; Lu, Taotao; Chen, Xue-Tai; Xue, Zi-Ling
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	56
Pages of publication	7830 - 7833
a	14.6723 ± 0.0012 Å
b	13.3927 ± 0.0012 Å
c	19.2473 ± 0.0015 Å
α	90°
β	108.953 ± 0.002°
γ	90°
Cell volume	3577.1 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0496
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228135 (current)	2019-11-17	cif/ Updating files of 7121857, 7121858, 7121859, 7121860 Original log message: Adding full bibliography for 7121857--7121860.cif.	7121860.cif
208545	2018-06-20	cif/ Adding structures of 7121857, 7121858, 7121859, 7121860 via cif-deposit CGI script.	7121860.cif