Crystallography Open Database

Information card for entry 1550250

Preview

Coordinates	1550250.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	C3 cyclo-tris-[5]helicene
Formula	C252 H264 O48
Calculated formula	C234 H228 O48
Title of publication	Cyclic tris-[5]helicenes with single and triple twisted Möbius topologies and Möbius aromaticity.
Authors of publication	Naulet, Guillaume; Sturm, Ludmilla; Robert, Antoine; Dechambenoit, Pierre; Röhricht, Fynn; Herges, Rainer; Bock, Harald; Durola, Fabien
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	48
Pages of publication	8930 - 8936
a	19.45 ± 0.002 Å
b	33.881 ± 0.004 Å
c	34.509 ± 0.004 Å
α	90°
β	103.592 ± 0.005°
γ	90°
Cell volume	22104 ± 4 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1603
Residual factor for significantly intense reflections	0.1449
Weighted residual factors for significantly intense reflections	0.3497
Weighted residual factors for all reflections included in the refinement	0.3592
Goodness-of-fit parameter for all reflections included in the refinement	1.136
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
228766 (current)	2019-11-17	cif/ Updating files of 1550250, 1550251 Original log message: Adding full bibliography for 1550250--1550251.cif.	1550250.cif
212021	2018-11-17	cif/ Adding structures of 1550250, 1550251 via cif-deposit CGI script.	1550250.cif