Crystallography Open Database

Information card for entry 1558615

Preview

Coordinates	1558615.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H42 N4 O4
Calculated formula	C39 H42 N4 O4
Title of publication	Supramolecular behaviour and fluorescence of rhodamine-functionalised ROMP polymers
Authors of publication	Birchall, Lee T.; Shehata, Sara; McCarthy, Sean; Shepherd, Helena J.; Clark, Ewan R.; Serpell, Christopher J.; Biagini, Stefano C. G.
Journal of publication	Polymer Chemistry
Year of publication	2020
Journal volume	11
Journal issue	32
Pages of publication	5279 - 5285
a	15.72214 ± 0.00017 Å
b	19.9433 ± 0.0002 Å
c	20.9335 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	6563.73 ± 0.13 Å³
Cell temperature	150 ± 0.3 K
Ambient diffraction temperature	150 ± 0.3 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0903
Weighted residual factors for all reflections included in the refinement	0.0948
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257934 (current)	2020-10-06	cif/ Updating files of 1558613, 1558614, 1558615 Original log message: Adding full bibliography for 1558613--1558615.cif.	1558615.cif
256185	2020-09-06	cif/ Updating files of 1558613, 1558614, 1558615 Original log message: Adding full bibliography for 1558613--1558615.cif.	1558615.cif
254385	2020-07-18	cif/ Adding structures of 1558613, 1558614, 1558615 via cif-deposit CGI script.	1558615.cif