Crystallography Open Database

Information card for entry 4033200

Preview

Coordinates	4033200.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H124 Cl44 N8 O8 Sb6
Calculated formula	C120 H96 Cl44 N8 O8 Sb6
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	25.919 ± 0.012 Å
b	25.919 ± 0.012 Å
c	11.739 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	7886 ± 7 Å³
Cell temperature	143 K
Ambient diffraction temperature	143 K
Number of distinct elements	6
Space group number	82
Hermann-Mauguin space group symbol	I -4
Hall space group symbol	I -4
Residual factor for all reflections	0.0786
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1237
Weighted residual factors for all reflections included in the refinement	0.1371
Goodness-of-fit parameter for all reflections included in the refinement	0.909
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.	4033200.cif
203460	2017-11-23	cif/ Adding structures of 4033200 via cif-deposit CGI script.	4033200.cif