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Information card for entry 7207688
Preview
Coordinates | 7207688.cif |
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Original paper (by DOI) | HTML |
Formula | C15 H28 N4 O5 Si |
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Calculated formula | C7 H9 N4 O2 |
SMILES | O=c1nc([nH]c(C)c1)NC(=O)NC |
Title of publication | Investigation on the vibrational and structural properties of a self-structured bridged silsesquioxane. |
Authors of publication | Creff, Gaëlle; Arrachart, Guilhem; Hermet, Patrick; Wadepohl, Hubert; Almairac, Robert; Maurin, David; Sauvajol, Jean-Louis; Carcel, Carole; Moreau, Joël J E; Dieudonné, Philippe; Man, Michel Wong Chi; Bantignies, Jean-Louis |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 16 |
Pages of publication | 5672 - 5679 |
a | 35.463 ± 0.003 Å |
b | 35.463 ± 0.003 Å |
c | 7.8005 ± 0.0009 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 8495.8 ± 1.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.1664 |
Residual factor for significantly intense reflections | 0.1302 |
Weighted residual factors for significantly intense reflections | 0.3633 |
Weighted residual factors for all reflections included in the refinement | 0.3893 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.305 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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