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Information card for entry 4029217
Preview
Coordinates | 4029217.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H31 N3 O11 |
---|---|
Calculated formula | C27 H31 N3 O11 |
SMILES | O1[C@H]2C3=C4[C@H]5O[C@@H]([C@H]4[C@H]4[C@@H]([C@H]3[C@@H]1[C@@H]1[C@H]2C(=O)N(C)C1=O)C(=O)N(C)C4=O)[C@@H]1[C@H]5C(=O)N(C)C1=O.CC(=O)OCC.O.O1[C@@H]2C3=C4[C@@H]5O[C@H]([C@@H]4[C@@H]4[C@H]([C@@H]3[C@H]1[C@H]1[C@@H]2C(=O)N(C)C1=O)C(=O)N(C)C4=O)[C@H]1[C@@H]5C(=O)N(C)C1=O.CC(=O)OCC.O |
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 | 13.798 ± 0.004 Å |
b | 9.8024 ± 0.0018 Å |
c | 21.099 ± 0.006 Å |
α | 90° |
β | 107.461 ± 0.008° |
γ | 90° |
Cell volume | 2722.2 ± 1.2 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1367 |
Residual factor for significantly intense reflections | 0.071 |
Weighted residual factors for all reflections | 0.1971 |
Weighted residual factors for significantly intense reflections | 0.1485 |
Weighted residual factors for all reflections included in the refinement | 0.1971 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4029217.html
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Users of the data should acknowledge the original authors of the
structural data.