Crystallography Open Database

Information card for entry 4125731

Preview

Coordinates	4125731.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52.5 H55.5 Au Cl4 F6 N2 O4 P Sb
Calculated formula	C52.5 H55.5 Au Cl4 F6 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	23.42 ± 0.003 Å
b	10.569 ± 0.0015 Å
c	22.221 ± 0.003 Å
α	90°
β	91.868 ± 0.003°
γ	90°
Cell volume	5497.4 ± 1.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	9
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0347
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0764
Weighted residual factors for all reflections included in the refinement	0.0783
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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.	4125731.cif
193110	2017-03-04	cif/ Adding structures of 4125731 via cif-deposit CGI script.	4125731.cif