Crystallography Open Database

Information card for entry 4125733

Preview

Coordinates	4125733.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69.5 H63 Au Cl4 F6 N2 O4 P Sb
Calculated formula	C69.5 H63 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	10.75 ± 0.004 Å
b	24.403 ± 0.014 Å
c	25.635 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	6725 ± 5 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	9
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1087
Residual factor for significantly intense reflections	0.0681
Weighted residual factors for significantly intense reflections	0.1573
Weighted residual factors for all reflections included in the refinement	0.1859
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
296166 (current)	2024-11-29	Removed the '_chemical_name_systematic' and '_chemical_name_common' data names that had the 'Title' placeholder value.	4125733.cif
193112	2017-03-04	cif/ Adding structures of 4125733 via cif-deposit CGI script.	4125733.cif