Crystallography Open Database

Information card for entry 1563863

Preview

Coordinates	1563863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64.79 H63.9 Cl0.1 N0.95 O10
Calculated formula	C64.792 H63.896 Cl0.104 N0.948 O10
Title of publication	Enantiopure nanohoops through racemic resolution of diketo[n]CPPs by chiral derivatization as precursors to DBP[n]CPPs
Authors of publication	Wassy, Daniel; Hermann, Mathias; Wössner, Jan S.; Frédéric, Lucas; Pieters, Grégory; Esser, Birgit
Journal of publication	Chemical Science
Year of publication	2021
a	13.254 ± 0.007 Å
b	14.439 ± 0.008 Å
c	15.761 ± 0.008 Å
α	82.961 ± 0.014°
β	67.977 ± 0.01°
γ	67.682 ± 0.011°
Cell volume	2586 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1116
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.1389
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
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
266881 (current)	2021-07-02	cif/ Adding structures of 1563860, 1563861, 1563862, 1563863, 1563864, 1563865, 1563866, 1563867, 1563868 via cif-deposit CGI script.	1563863.cif