Crystallography Open Database

Information card for entry 4037311

Preview

Coordinates	4037311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H66 Cl7 N5 O2
Calculated formula	C60 H66 Cl7 N5 O2
Title of publication	Chloride Selective Macrocyclic Bisurea Derivatives with 2,2'-Binaphthalene Moieties as Spacers.
Authors of publication	Satake, Akira; Ishizawa, Yuki; Katagiri, Hiroshi; Kondo, Shin-Ichi
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	20
Pages of publication	9848 - 9857
a	8.5439 ± 0.0013 Å
b	25.359 ± 0.004 Å
c	27.711 ± 0.004 Å
α	90°
β	103.197 ± 0.005°
γ	90°
Cell volume	5845.4 ± 1.5 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0968
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.1758
Weighted residual factors for all reflections included in the refinement	0.1891
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4037311.html