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CIF Information Card
Information card for 1100909
1100908 << 1100909 >> 1100910Preview
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Coordinates |
1100909.cif |
Structure parameters
| Chemical name | N-(4-Methylphenyl)-N-2-propynyl-N-5-nitro-2-furfurylamine |
| Formula | - C15 H14 N2 O3 - |
| Calculated formula | - C15 H14 N2 O3 - |
| a | 8.849 ± 0.0018 Å |
| b | 9.206 ± 0.0013 Å |
| c | 9.8438 ± 0.0019 Å |
| α | 63.196 ± 0.014° |
| β | 76.908 ± 0.015° |
| γ | 73.937 ± 0.013° |
| Cell volume | 683 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P -1 |
| Residual factor for all reflections | 0.078 |
| Residual factor for observed reflections | 0.039 |
| Weighted residual factors for all reflections included in the refinement | 0.101 |
| Goodness-of-fit parameter for observed reflections | 0.973 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |