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Information card for entry 1555102
Preview
| Coordinates | 1555102.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H22 O |
|---|---|
| Calculated formula | C22 H22 O |
| SMILES | O=C1[C@H]([C@H]2C(=Cc3c2cccc3)c2ccc(cc2)C)CCCC1.O=C1[C@@H]([C@@H]2C(=Cc3c2cccc3)c2ccc(cc2)C)CCCC1 |
| Title of publication | In Situ Formed Acetal-Facilitated Synthesis of Substituted Indene Derivatives from o-Alkenylbenzaldehydes. |
| Authors of publication | Manojveer, Seetharaman; Balamurugan, Rengarajan |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 14 |
| Pages of publication | 3600 - 3603 |
| a | 9.1622 ± 0.0018 Å |
| b | 9.508 ± 0.002 Å |
| c | 10.568 ± 0.002 Å |
| α | 83 ± 0.016° |
| β | 65.519 ± 0.019° |
| γ | 78.417 ± 0.018° |
| Cell volume | 820 ± 0.3 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0795 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.1132 |
| Weighted residual factors for all reflections included in the refinement | 0.1293 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238323 (current) | 2019-11-24 | cif/ Adding structures of 1555102 via cif-deposit CGI script. |
1555102.cif |
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Users of the data should acknowledge the original authors of the
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