Crystallography Open Database

Information card for entry 1571753

Preview

Coordinates	1571753.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H74 Cl4
Calculated formula	C70 H74 Cl4
Title of publication	Helically twisted nanoribbons <i>via</i> stereospecific annulative π-extension reaction employing [7]helicene as a molecular wrench.
Authors of publication	Swain, Asim; Radacki, Krzysztof; Braunschweig, Holger; Ravat, Prince
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	30
Pages of publication	11737 - 11747
a	14.1616 ± 0.0001 Å
b	14.6125 ± 0.0001 Å
c	15.9286 ± 0.0001 Å
α	66.405 ± 0.001°
β	76.568 ± 0.001°
γ	74.111 ± 0.001°
Cell volume	2876.94 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0671
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1687
Weighted residual factors for all reflections included in the refinement	0.171
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Diffraction radiation X-ray symbol	K-L~2,3~
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
293770 (current)	2024-08-05	cif/ Updating files of 1571753, 1571754 Original log message: Adding full bibliography for 1571753--1571754.cif.	1571753.cif
292136	2024-06-01	cif/ Adding structures of 1571753, 1571754 via cif-deposit CGI script.	1571753.cif