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CIF Information Card
Information card for 2013863
2013862 << 2013863 >> 2013864Preview
|
Coordinates |
2013863.cif |
|
Structure factors |
2013863.hkl |
Structure parameters
| Formula | - C10 H16 Br2 N2 O2 S - |
| Calculated formula | - C10 H16 Br2 N2 O2 S - |
| Title of publication | Intramolecular cyclization of 4,7-bis(2-bromoacetyl)-1-thia-4,7-diazacyclononane |
| Authors of publication | Blake, Alexander J.; Lippolis, Vito; Schröder, Martin |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2004 |
| Journal volume | 60 |
| Pages of publication | o100 - o102 |
| a | 7.2655 ± 0.001 Å |
| b | 9.5032 ± 0.0013 Å |
| c | 10.074 ± 0.0015 Å |
| α | 86.665 ± 0.012° |
| β | 75.553 ± 0.013° |
| γ | 83.068 ± 0.01° |
| Cell volume | 668.36 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |