Crystallography Open Database

Information card for entry 7218805

Preview

Coordinates	7218805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C155 H152 N6 O84
Calculated formula	C155 H155 N6 O83.906
Title of publication	Solid-state assembly of carboxylic acid substituted pillar[5]arene and its host‒guest complex with tetracaine
Authors of publication	Danylyuk, Oksana; Sashuk, Volodymyr
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	4
Pages of publication	719
a	17.0487 ± 0.0009 Å
b	21.1862 ± 0.0008 Å
c	24.7335 ± 0.001 Å
α	76.225 ± 0.003°
β	80.707 ± 0.004°
γ	85.563 ± 0.004°
Cell volume	8555.8 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.2314
Residual factor for significantly intense reflections	0.1455
Weighted residual factors for significantly intense reflections	0.3515
Weighted residual factors for all reflections included in the refinement	0.4271
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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
180519 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/88.	7218805.cif
133136	2015-03-06	cif/ Updating files of 7218804, 7218805 Original log message: Adding full bibliography for 7218804--7218805.cif.	7218805.cif
127534	2014-11-20	cif/ Adding structures of 7218804, 7218805 via cif-deposit CGI script.	7218805.cif