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CIF Information Card
Information card for 2013812
2013811 << 2013812 >> 2013813Preview
|
Coordinates |
2013812.cif |
|
Structure factors |
2013812.hkl |
Structure parameters
| Formula | - C13 H10 N2 O2 - |
| Calculated formula | - C13 H10 N2 O2 - |
| Title of publication | 12-Oxa-5,7-diazadibenzo[a,f]cyclonona-1,6-dien-6-one: a three-dimensional network assembled by hydrogen bonding, π‒π and edge-to-face interactions |
| Authors of publication | Böhmer, Volker; Meshcheryakov, Denys; Thondorf, Iris; Bolte, Michael |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2004 |
| Journal volume | 60 |
| Pages of publication | o136 - o139 |
| a | 17.5679 ± 0.001 Å |
| b | 7.1586 ± 0.0003 Å |
| c | 17.73 ± 0.001 Å |
| α | 90° |
| β | 105.203 ± 0.004° |
| γ | 90° |
| Cell volume | 2151.72 ± 0.19 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |