Crystallography Open Database

Information card for entry 4033236

Preview

Coordinates	4033236.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H175 N7 O25
Calculated formula	C120.004 H175.009 N7.001 O25.001
Title of publication	Synthesis and Structure of Feet-to-Feet Connected Bisresorcinarenes.
Authors of publication	Shimoyama, Daisuke; Ikeda, Toshiaki; Sekiya, Ryo; Haino, Takeharu
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	24
Pages of publication	13220 - 13230
a	16.813 ± 0.004 Å
b	21.414 ± 0.005 Å
c	22.481 ± 0.005 Å
α	65.245 ± 0.003°
β	75.329 ± 0.003°
γ	88.64 ± 0.003°
Cell volume	7079 ± 3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.1976
Residual factor for significantly intense reflections	0.1136
Weighted residual factors for significantly intense reflections	0.2829
Weighted residual factors for all reflections included in the refinement	0.3171
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
204797 (current)	2018-01-06	cif/ Updating files of 4033235, 4033236, 4033237, 4033238, 4033239 Original log message: Adding full bibliography for 4033235--4033239.cif.	4033236.cif
203835	2017-12-01	cif/ Adding structures of 4033235, 4033236, 4033237, 4033238, 4033239 via cif-deposit CGI script.	4033236.cif