Crystallography Open Database

Information card for entry 7230189

Preview

Coordinates	7230189.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,3-Bis[(E)-2-(methoxycarbonyl)-3-[6-(prop-2-ynyloxy)-naphthalen-2-yl]allyl]-1H-imidazol-3-ium chloride x 2CHCl3
Formula	C41 H35 Cl7 N2 O6
Calculated formula	C41 H35 Cl7 N2 O6
Title of publication	Poly-histidine grafting leading to fishbone-like architectures
Authors of publication	Razzano, Vincenzo; Paolino, Marco; Reale, Annalisa; Giuliani, Germano; Donati, Alessandro; Giorgi, Gianluca; Artusi, Roberto; Caselli, Gianfranco; Visintin, Michela; Makovec, Francesco; Battiato, Salvatore; Samperi, Filippo; Villafiorita-Monteleone, Francesca; Botta, Chiara; Cappelli, Andrea
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	16
Pages of publication	8638
a	10.245 ± 0.0013 Å
b	25.069 ± 0.002 Å
c	8.5267 ± 0.0009 Å
α	90°
β	104.29 ± 0.011°
γ	90°
Cell volume	2122.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	8
Hermann-Mauguin space group symbol	C 1 m 1
Hall space group symbol	C -2y
Residual factor for all reflections	0.13
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.1747
Weighted residual factors for all reflections included in the refinement	0.2125
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
206674 (current)	2018-02-27	cif/ Adding structures of 7230189 via cif-deposit CGI script.	7230189.cif