Crystallography Open Database

Information card for entry 1572861

Preview

Coordinates	1572861.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C156 H188
Calculated formula	C156 H188
Title of publication	Pentacosacyclenes: cruciform molecular nanocarbons based on cyclooctatetraene.
Authors of publication	Kumar, Rakesh; Chmielewski, Piotr J.; Lis, Tadeusz; Czarnecki, Mirosław; Stępień, Marcin
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	44
Pages of publication	18640 - 18649
a	21.398 ± 0.003 Å
b	21.398 ± 0.003 Å
c	53.967 ± 0.014 Å
α	90°
β	90°
γ	90°
Cell volume	24710 ± 8 Å³
Cell temperature	80 ± 2 K
Ambient diffraction temperature	80 ± 2 K
Number of distinct elements	2
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.1883
Residual factor for significantly intense reflections	0.1132
Weighted residual factors for significantly intense reflections	0.2734
Weighted residual factors for all reflections included in the refinement	0.2976
Goodness-of-fit parameter for all reflections included in the refinement	1.614
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
296350 (current)	2024-12-06	cif/ Updating files of 1572861, 1572862, 1572863 Original log message: Adding full bibliography for 1572861--1572863.cif.	1572861.cif
295438	2024-10-12	cif/ Adding structures of 1572861, 1572862, 1572863 via cif-deposit CGI script.	1572861.cif