Information card for entry 7101451
Formula |
C12 H15 N3 O2 |
Calculated formula |
C12 H15 N3 O2 |
SMILES |
C1N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)N1 |
Title of publication |
Porous 3-D honeycomb architecture by self-assembly of helical H-bonded molecular tapes |
Authors of publication |
Schaffner, Arnaud-Pierre; Lena, Gersande; Roussel, Solveig; Wawrezinieck, Anne; Aubry, André; Briand, Jean-Paul; Didierjean, Claude; Guichard, Gilles |
Journal of publication |
Chemical Communications (Cambridge, United Kingdom) |
Year of publication |
2006 |
Journal issue |
39 |
Pages of publication |
4069 - 4071 |
a |
15.583 ± 0.002 Å |
b |
15.583 ± 0.002 Å |
c |
9.964 ± 0.001 Å |
α |
90° |
β |
90° |
γ |
120° |
Cell volume |
2095.4 ± 0.4 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
Space group number |
169 |
Hermann-Mauguin space group symbol |
P 61 |
Hall space group symbol |
P 61 |
Residual factor for all reflections |
0.0489 |
Residual factor for significantly intense reflections |
0.0462 |
Weighted residual factors for significantly intense reflections |
0.1178 |
Weighted residual factors for all reflections included in the refinement |
0.1246 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.13 |
Diffraction radiation probe |
x-ray |
Diffraction radiation wavelength |
1.5406 Å |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/7101451.html