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Information card for entry 7101475
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Coordinates | 7101475.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | in paper 7a |
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Formula | C36 H28 O3 |
Calculated formula | C36 H28 O3 |
SMILES | O=C([C@H]1[C@H](C(=O)c2ccc(OC)cc2)C(c2c1cccc2)(c1ccccc1)c1ccccc1)c1ccccc1.O=C([C@@H]1[C@@H](C(=O)c2ccc(OC)cc2)C(c2c1cccc2)(c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | Coupling-Isomerization-Claisen Sequences - Mechanistic Dichotomies in Hetero Domino Reactions |
Authors of publication | D.D'Souza; T.J.J.Muller; F.Rominger |
Journal of publication | Chemical Communications |
Year of publication | 2006 |
Journal issue | 39 |
a | 8.905 ± 0.004 Å |
b | 30.8 ± 0.01 Å |
c | 10.012 ± 0.005 Å |
α | 90° |
β | 99.91 ± 0.01° |
γ | 90° |
Cell volume | 2705 ± 2 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0737 |
Residual factor for significantly intense reflections | 0.0472 |
Weighted residual factors for significantly intense reflections | 0.1082 |
Weighted residual factors for all reflections included in the refinement | 0.1206 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.908 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7101475.html
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