Crystallography Open Database

Information card for entry 4510666

Preview

Coordinates	4510666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C105 H141 N15 O3
Calculated formula	C105 H133 N15 O3
Title of publication	Binding Studies on an Arene-Capped Bicyclic Cyclophane with π-Rich Neutral Guests and Anions
Authors of publication	Chakraborty, Sourav; Arunachalam, M.; Bose, Purnandhu; Ghosh, Pradyut
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	7
Pages of publication	3208
a	13.6426 ± 0.0007 Å
b	16.9738 ± 0.0009 Å
c	21.6609 ± 0.0011 Å
α	76.672 ± 0.001°
β	76.647 ± 0.001°
γ	73.102 ± 0.001°
Cell volume	4597.1 ± 0.4 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	0.1084
Residual factor for significantly intense reflections	0.075
Weighted residual factors for significantly intense reflections	0.2107
Weighted residual factors for all reflections included in the refinement	0.2373
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179653 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/06.	4510666.cif
113117	2014-05-08	cif/ Adding structures of 4510665, 4510666, 4510667, 4510668, 4510669, 4510670 via cif-deposit CGI script.	4510666.cif