Crystallography Open Database

Information card for entry 4132378

Preview

Coordinates	4132378.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C164 H150.76 N10 O12
Calculated formula	C164 H150.916 N10 O12
Title of publication	A Helicene Nanoribbon with Greatly Amplified Chirality.
Authors of publication	Schuster, Nathaniel J.; Hernández Sánchez, Raúl; Bukharina, Daria; Kotov, Nicholas A.; Berova, Nina; Ng, Fay; Steigerwald, Michael L.; Nuckolls, Colin
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	20
Pages of publication	6235 - 6239
a	16.4092 ± 0.0016 Å
b	16.4773 ± 0.0016 Å
c	28.5237 ± 0.0013 Å
α	92.704 ± 0.006°
β	92.421 ± 0.006°
γ	107.771 ± 0.009°
Cell volume	7323 ± 1.1 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2495
Residual factor for significantly intense reflections	0.197
Weighted residual factors for significantly intense reflections	0.4947
Weighted residual factors for all reflections included in the refinement	0.5452
Goodness-of-fit parameter for all reflections included in the refinement	1.74
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
242361 (current)	2019-11-26	cif/ Adding structures of 4132378 via cif-deposit CGI script.	4132378.cif