Crystallography Open Database

Information card for entry 1542338

Preview

Coordinates	1542338.cif
Structure factors	1542338.hkl

Structure parameters

Formula	C414 H324
Calculated formula	C414 H324
Title of publication	Building Giant Carbocycles by Reversible C-C Bond Formation
Authors of publication	Daniel Beaudoin; Olivier Levasseur-Grenon; Thierry Maris; James D. Wuest
Journal of publication	Angew. Chem. Int. Ed.
Year of publication	2016
Journal volume	55
Pages of publication	894 - 898
a	21.4238 ± 0.0013 Å
b	24.3862 ± 0.0015 Å
c	32.254 ± 0.002 Å
α	78.729 ± 0.003°
β	76.442 ± 0.003°
γ	69.579 ± 0.003°
Cell volume	15231.9 ± 1.7 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.1514
Residual factor for significantly intense reflections	0.0896
Weighted residual factors for significantly intense reflections	0.2487
Weighted residual factors for all reflections included in the refinement	0.3004
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181862 (current)	2016-04-06	hkl/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in range 1.	1542338.cif 1542338.hkl
175239	2016-01-28	cif/ hkl/ Adding structures of 1542338 via cif-deposit CGI script.	1542338.cif 1542338.hkl