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Information card for entry 7150145
Preview
Coordinates | 7150145.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (1R*,2R*,5S*)-1-Hydroxymethyl-4,5-diphenyl-3,6-dioxa-8-azabicyclo[3.2.1]octan- 4-ol |
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Formula | C18 H19 N O4 |
Calculated formula | C18 H19 N O4 |
SMILES | [C@]1(OC[C@]2(N[C@@]1(OC2)c1ccccc1)CO)(O)c1ccccc1.[C@@]1(OC[C@@]2(N[C@]1(OC2)c1ccccc1)CO)(O)c1ccccc1 |
Title of publication | Polycyclic compounds from aminopolyols and alpha-dicarbonyls: structure and application in the synthesis of exoditopic ligands. |
Authors of publication | Giovenzana, Giovanni B.; Palmisano, Giovanni; Del Grosso, Erika; Giovannelli, Lorella; Penoni, Andrea; Pilati, Tullio |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2005 |
Journal volume | 3 |
Journal issue | 8 |
Pages of publication | 1489 - 1494 |
a | 15.63 ± 0.0019 Å |
b | 12.6665 ± 0.0015 Å |
c | 7.9832 ± 0.001 Å |
α | 90° |
β | 93.946 ± 0.003° |
γ | 90° |
Cell volume | 1576.7 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0357 |
Residual factor for significantly intense reflections | 0.0328 |
Weighted residual factors for significantly intense reflections | 0.0811 |
Weighted residual factors for all reflections included in the refinement | 0.0845 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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