Crystallography Open Database

Information card for entry 7222366

Preview

Coordinates	7222366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94.8 H137.2 N O23.8
Calculated formula	C86 H124 N O15
Title of publication	α,ω-Alkanediyldiammonium dications sealed within calix[5]arene capsules with a hydrophobic bayonet-mount fastening
Authors of publication	Brancatelli, Giovanna; Gattuso, Giuseppe; Geremia, Silvano; Manganaro, Nadia; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pisagatti, Ilenia
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	41
Pages of publication	7915
a	22.92 ± 0.01 Å
b	23.62 ± 0.01 Å
c	36.17 ± 0.02 Å
α	90°
β	90°
γ	90°
Cell volume	19581 ± 16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P c a n
Hall space group symbol	-P 2n 2c
Residual factor for all reflections	0.1537
Residual factor for significantly intense reflections	0.1118
Weighted residual factors for significantly intense reflections	0.2035
Weighted residual factors for all reflections included in the refinement	0.2162
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.9 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
171039 (current)	2015-12-09	cif/ Updating files of 7222366, 7222367, 7222368 Original log message: Adding full bibliography for 7222366--7222368.cif.	7222366.cif
159073	2015-10-01	cif/ Adding structures of 7222366, 7222367, 7222368 via cif-deposit CGI script.	7222366.cif