Crystallography Open Database

Information card for entry 4033199

Preview

Coordinates	4033199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H56 Cl2 F12 N4 O8 Sb2
Calculated formula	C59 H56 Cl2 F12 N4 O8 Sb2
Title of publication	Tetraaza[14]- and Octaaza[18]paracyclophane: Synthesis and Characterization of Their Neutral and Cationic States.
Authors of publication	Sakamaki, Daisuke; Ito, Akihiro; Tsutsui, Yusuke; Seki, Shu
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	24
Pages of publication	13348 - 13358
a	10.691 Å
b	21.5103 Å
c	14.9915 Å
α	90°
β	98.822°
γ	90°
Cell volume	3406.76 Å³
Cell temperature	143 K
Ambient diffraction temperature	143 K
Number of distinct elements	7
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.1254
Residual factor for significantly intense reflections	0.085
Weighted residual factors for significantly intense reflections	0.2052
Weighted residual factors for all reflections included in the refinement	0.2367
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
204818 (current)	2018-01-06	cif/ Updating files of 4033199, 4033200, 4033201 Original log message: Adding full bibliography for 4033199--4033201.cif.	4033199.cif
203458	2017-11-23	cif/ Adding structures of 4033199 via cif-deposit CGI script.	4033199.cif