Crystallography Open Database

Information card for entry 4125734

Preview

Coordinates	4125734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55.5 H49 Au Cl2 F18 N2 O4 P Sb
Calculated formula	C55.5 H49 Au Cl2 F17.9997 N2 O4 P Sb
Title of publication	Enantioselective Synthesis of [6]Carbohelicenes.
Authors of publication	González-Fernández, Elisa; Nicholls, Leo D. M.; Schaaf, Lukas D.; Farès, Christophe; Lehmann, Christian W.; Alcarazo, Manuel
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
Journal volume	139
Journal issue	4
Pages of publication	1428 - 1431
a	10.983 ± 0.0012 Å
b	11.4243 ± 0.0012 Å
c	13.3626 ± 0.0014 Å
α	66.668 ± 0.002°
β	83.965 ± 0.002°
γ	88.252 ± 0.002°
Cell volume	1530.9 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	9
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0598
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1113
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296166 (current)	2024-11-29	Removed the '_chemical_name_systematic' and '_chemical_name_common' data names that had the 'Title' placeholder value.	4125734.cif
193113	2017-03-04	cif/ Adding structures of 4125734 via cif-deposit CGI script.	4125734.cif