Crystallography Open Database

Information card for entry 7702199

Preview

Coordinates	7702199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H56 N4 O6
Calculated formula	C48 H56 N4 O6
Title of publication	Tetraarylpyrrolo[3,2-b]pyrroles as versatile and responsive fluorescent linkers in metal-organic frameworks.
Authors of publication	Hawes, Chris S.; Ó Máille, Gearóid M; Byrne, Kevin; Schmitt, Wolfgang; Gunnlaugsson, Thorfinnur
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	30
Pages of publication	10080 - 10092
a	6.1199 ± 0.0002 Å
b	11.6124 ± 0.0004 Å
c	28.9629 ± 0.0009 Å
α	90°
β	92.694 ± 0.002°
γ	90°
Cell volume	2056.02 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0581
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1325
Weighted residual factors for all reflections included in the refinement	0.1404
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
236845 (current)	2019-11-24	cif/ Adding structures of 7702198, 7702199, 7702200, 7702201, 7702202, 7702203 via cif-deposit CGI script.	7702199.cif