Crystallography Open Database

Information card for entry 4120079

4120078 << 4120079 >> 4120080

Preview

Coordinates	4120079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C187 H151 Cl21 N12 O12
Calculated formula	C187.08 H162.24 Cl19.8 N12 O12
Title of publication	Dodecaamide Cages: Organic 12-Arm Building Blocks for Supramolecular Chemistry
Authors of publication	Jamie L. Culshaw; Ge Cheng; Marc Schmidtmann; Tom Hasell; Ming Liu; Dave J. Adams; Andrew I. Cooper
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	10007 - 10010
a	20.3289 ± 0.0013 Å
b	20.3289 ± 0.0013 Å
c	20.3289 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	8401.2 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	201
Hermann-Mauguin space group symbol	P n -3 :2
Hall space group symbol	-P 2ab 2bc 3
Residual factor for all reflections	0.1182
Residual factor for significantly intense reflections	0.0933
Weighted residual factors for significantly intense reflections	0.2989
Weighted residual factors for all reflections included in the refinement	0.3347
Goodness-of-fit parameter for all reflections included in the refinement	1.402
Diffraction radiation wavelength	0.71073 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/4120079.html