Crystallography Open Database

Information card for entry 4515684

Preview

Coordinates	4515684.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C115 H108 Cl2 F36 N6 O8 P2 Sb2
Calculated formula	C115 H108 Cl2 F36 N6 O8 P2 Sb2
Title of publication	TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation
Authors of publication	Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel
Journal of publication	ACS Catalysis
Year of publication	2018
Journal volume	8
Journal issue	7
Pages of publication	6079
a	23.156 ± 0.0008 Å
b	23.156 ± 0.0008 Å
c	45.3164 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	24298.7 ± 1.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	99.98 K
Number of distinct elements	8
Space group number	90
Hermann-Mauguin space group symbol	P 4 21 2
Hall space group symbol	P 4ab 2ab
Residual factor for all reflections	0.063
Residual factor for significantly intense reflections	0.0538
Weighted residual factors for significantly intense reflections	0.1398
Weighted residual factors for all reflections included in the refinement	0.1455
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
225817 (current)	2019-11-10	cif/ Adding structures of 4515684 via cif-deposit CGI script.	4515684.cif