Crystallography Open Database

Information card for entry 1564608

Preview

Coordinates	1564608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H22 N2 O2
Calculated formula	C27 H22 N2 O2
SMILES	O(c1c2c(cccc2OC)c2C(=C3c4cccnc4c4ncccc34)C(Cc2c1)C)C
Title of publication	Coordination-directed self-assembly of molecular motors: towards a two-wheel drive nanocar.
Authors of publication	Li, Menglian; Li, Shaorui; Zhang, Kexin; Chi, Xin; Zhou, Hang; Xu, Hai-Bing; Zhang, Yuexing; Li, Quan; Wang, Dong; Zeng, Ming-Hua
Journal of publication	Nanoscale
Year of publication	2021
Journal volume	13
Journal issue	39
Pages of publication	16748 - 16754
a	10.859 ± 0.0002 Å
b	11.9981 ± 0.0002 Å
c	16.6267 ± 0.0002 Å
α	76.377 ± 0.001°
β	89.763 ± 0.001°
γ	76.25 ± 0.001°
Cell volume	2041.88 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0447
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.113
Weighted residual factors for all reflections included in the refinement	0.1164
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
275434 (current)	2022-05-16	cif/1 Fixing some Z values and formulae	1564608.cif
270465	2021-11-06	cif/ Updating files of 1564608, 1564609 Original log message: Adding full bibliography for 1564608--1564609.cif.	1564608.cif
269076	2021-09-10	cif/ Adding structures of 1564608, 1564609 via cif-deposit CGI script.	1564608.cif