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Information card for entry 4029215
Preview
Coordinates | 4029215.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H22 N2 O5 |
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Calculated formula | C28 H22 N2 O5 |
SMILES | O1[C@@H]2C3=C([C@H]1[C@@H]1C(=O)N(c4ccccc4)C(=O)[C@H]21)[C@@H]1CC[C@H]3[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 |
Title of publication | Furanodendralenes. |
Authors of publication | Fallon, Thomas; Willis, Anthony C; Paddon-Row, Michael N; Sherburn, Michael S |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 7 |
Pages of publication | 3185 - 3193 |
a | 7.8354 ± 0.0002 Å |
b | 16.7282 ± 0.0005 Å |
c | 17.0838 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2239.21 ± 0.11 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0388 |
Residual factor for significantly intense reflections | 0.0332 |
Weighted residual factors for all reflections | 0.0787 |
Weighted residual factors for significantly intense reflections | 0.076 |
Weighted residual factors for all reflections included in the refinement | 0.0787 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0277 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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