Crystallography Open Database

Information card for entry 7057213

Preview

Coordinates	7057213.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H124 N2 O22
Calculated formula	C104 H124 N2 O22
Title of publication	Self-locked dipillar[5]arene-based pseudo[1]rotaxanes and bispseudo[1]rotaxanes with different lengths of bridging chains
Authors of publication	Jiang, Shuo; Han, Ying; Cheng, Ming; Sun, Jing; Yan, Chao-Guo; Jiang, Juli; Wang, Leyong
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	10
Pages of publication	7603
a	12.413 ± 0.002 Å
b	22.404 ± 0.003 Å
c	22.568 ± 0.003 Å
α	62.389 ± 0.004°
β	77.747 ± 0.004°
γ	81.705 ± 0.004°
Cell volume	5427.1 ± 1.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.311
Residual factor for significantly intense reflections	0.2
Weighted residual factors for significantly intense reflections	0.4349
Weighted residual factors for all reflections included in the refinement	0.4712
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
230192 (current)	2019-11-17	cif/ Updating files of 7057212, 7057213 Original log message: Adding full bibliography for 7057212--7057213.cif.	7057213.cif
207142	2018-03-28	cif/ Adding structures of 7057212, 7057213 via cif-deposit CGI script.	7057213.cif