Crystallography Open Database

Information card for entry 7235903

Preview

Coordinates	7235903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H67 N O12
Calculated formula	C52 H67 N O12
Title of publication	Aromatic N-oxide templates open inclusion and dimeric capsular assemblies with methylresorcinarene
Authors of publication	Beyeh, Ngong Kodiah; Puttreddy, Rakesh; Rissanen, Kari
Journal of publication	RSC Advances
Year of publication	2015
Journal volume	5
Journal issue	38
Pages of publication	30222
a	12.143 ± 0.002 Å
b	12.791 ± 0.003 Å
c	18.158 ± 0.004 Å
α	95.58 ± 0.03°
β	106.88 ± 0.03°
γ	113.4 ± 0.03°
Cell volume	2403.2 ± 1.3 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 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	0.1494
Residual factor for significantly intense reflections	0.0724
Weighted residual factors for significantly intense reflections	0.1222
Weighted residual factors for all reflections included in the refinement	0.1485
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7235903.html