Crystallography Open Database

Information card for entry 4134592

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Coordinates	4134592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H66 N2 O4
Calculated formula	C72 H66 N2 O4
Title of publication	Perylene Diimide-Embedded Double [8]Helicenes.
Authors of publication	Liu, Bo; Böckmann, Marcus; Jiang, Wei; Doltsinis, Nikos L.; Wang, Zhaohui
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
a	15.1377 ± 0.0002 Å
b	19.4899 ± 0.0003 Å
c	22.4137 ± 0.0002 Å
α	106.704 ± 0.001°
β	98.601 ± 0.001°
γ	105.017 ± 0.001°
Cell volume	5935.33 ± 0.15 Å³
Cell temperature	169.99 ± 0.1 K
Ambient diffraction temperature	169.99 ± 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	0.1216
Residual factor for significantly intense reflections	0.111
Weighted residual factors for significantly intense reflections	0.362
Weighted residual factors for all reflections included in the refinement	0.3817
Goodness-of-fit parameter for all reflections included in the refinement	1.717
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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