Crystallography Open Database

Information card for entry 1558614

Preview

Coordinates	1558614.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H42 N4 O5
Calculated formula	C41 H46 N4 O5
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	10.4936 ± 0.0003 Å
b	12.3484 ± 0.0003 Å
c	16.1383 ± 0.0004 Å
α	99.335 ± 0.002°
β	102.497 ± 0.002°
γ	112.561 ± 0.002°
Cell volume	1814.32 ± 0.09 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	0.0594
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.147
Weighted residual factors for all reflections included in the refinement	0.1571
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	1558614.cif
256185	2020-09-06	cif/ Updating files of 1558613, 1558614, 1558615 Original log message: Adding full bibliography for 1558613--1558615.cif.	1558614.cif
254385	2020-07-18	cif/ Adding structures of 1558613, 1558614, 1558615 via cif-deposit CGI script.	1558614.cif