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Information card for entry 8100996
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| Coordinates | 8100996.cif |
|---|
| Formula | C31.25 H39 N2 O8.25 S |
|---|---|
| Calculated formula | C31.25 H39 N2 O8.25 S |
| Title of publication | Crystal structure of (1S,3S,6S,7S,8S,9S)-7,9-diacetoxy-6-(4-methoxybenzyl)- 3-[N-methyl-N-(4-methylphenyl)sulfonylamino]-5-azatricyclo[6.3.1.0^1,5^] dodecan-4-one—methanol (1/0.25), C~31~H~38~N~2~O~8~S · ¼ (CH~3~OH) |
| Authors of publication | Bavoux, C.; Perrin, M.; Ousmer, M.; Braun, N. A.; Ciufolini, M. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2001 |
| Journal volume | 216 |
| Journal issue | 3 |
| Pages of publication | 361 - 362 |
| a | 12.111 ± 0.002 Å |
| b | 12.111 ± 0.002 Å |
| c | 42.151 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6182.2 ± 1.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for significantly intense reflections | 0.0748 |
| Weighted residual factors for significantly intense reflections | 0.1361 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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