Crystallography Open Database

Information card for entry 7231585

Preview

Coordinates	7231585.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57.65 H55.4 Cl3.8 N3 O13.75
Calculated formula	C57.65 H55.4 Cl3.8 N3 O13.75
Title of publication	Recognition and optical sensing of amines by a quartz-bound 7-chloro-4-quinolylazopillar[5]arene monolayer
Authors of publication	Pisagatti, Ilenia; Gattuso, Giuseppe; Notti, Anna; Parisi, Melchiorre F.; Brancatelli, Giovanna; Geremia, Silvano; Greco, Francesco; Millesi, Salvatrice; Pappalardo, Andrea; Spitaleri, Luca; Gulino, Antonino
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	58
Pages of publication	33269
a	12.576 ± 0.002 Å
b	33.286 ± 0.001 Å
c	14.585 ± 0.002 Å
α	90°
β	95.981 ± 0.003°
γ	90°
Cell volume	6072.1 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1096
Residual factor for significantly intense reflections	0.1059
Weighted residual factors for significantly intense reflections	0.2726
Weighted residual factors for all reflections included in the refinement	0.2763
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.8 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
211191 (current)	2018-09-27	cif/ Adding structures of 7231585 via cif-deposit CGI script.	7231585.cif