Crystallography Open Database

Information card for entry 1557910

Preview

Coordinates	1557910.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H66 Br4 O10
Calculated formula	C53 H66 Br4 O10
Title of publication	Pillar[5]arene-based self-assembled linear supramolecular polymer driven by guest halogen‒halogen interactions in solid and solution states
Authors of publication	Al-Azemi, Talal F.; Vinodh, Mickey
Journal of publication	Polymer Chemistry
Year of publication	2020
Journal volume	11
Journal issue	19
Pages of publication	3305 - 3312
a	10.3567 ± 0.0008 Å
b	12.1184 ± 0.0009 Å
c	22.4299 ± 0.0015 Å
α	91.283 ± 0.006°
β	95.977 ± 0.007°
γ	110.754 ± 0.008°
Cell volume	2612.8 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1513
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1549
Weighted residual factors for all reflections included in the refinement	0.179
Goodness-of-fit parameter for all reflections included in the refinement	0.905
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257941 (current)	2020-10-06	cif/ Updating files of 1557910 Original log message: Adding full bibliography for 1557910.cif.	1557910.cif
254003	2020-07-06	cif/ Updating files of 1557910 Original log message: Adding full bibliography for 1557910.cif.	1557910.cif
251170	2020-04-25	cif/ Adding structures of 1557910 via cif-deposit CGI script.	1557910.cif