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Information card for entry 7711603
Preview
| Coordinates | 7711603.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H18 B N |
|---|---|
| Calculated formula | C24 H18 B N |
| SMILES | Cc1cc2c([B]3(c4c(cccc4)c4cccc[n]34)c3c2cccc3)cc1 |
| Title of publication | Synthesis and stereochemistry of chiral aza-boraspirobifluorenes with tetrahedral boron-stereogenic centers |
| Authors of publication | Yoshigoe, Yusuke; Hashizume, Keiichiro; Saito, Shinichi |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 12.2016 ± 0.0013 Å |
| b | 9.8758 ± 0.0012 Å |
| c | 14.989 ± 0.0018 Å |
| α | 90° |
| β | 103.647 ± 0.004° |
| γ | 90° |
| Cell volume | 1755.2 ± 0.4 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273.15 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 | 0.089 |
| Residual factor for significantly intense reflections | 0.0607 |
| Weighted residual factors for significantly intense reflections | 0.1437 |
| Weighted residual factors for all reflections included in the refinement | 0.1586 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278868 (current) | 2022-10-29 | cif/ Adding structures of 7711602, 7711603, 7711604, 7711605, 7711606, 7711607, 7711608, 7711609, 7711610 via cif-deposit CGI script. |
7711603.cif |
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Users of the data should acknowledge the original authors of the
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