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Information card for entry 7206522
Preview
Coordinates | 7206522.cif |
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Original paper (by DOI) | HTML |
Formula | C8 H17 B10 N O |
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Calculated formula | C8 H17 B10 N O |
SMILES | [C]1234([CH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121)C(c1cccnc1)O |
Title of publication | Supramolecular architectures in o-carboranyl alcohols bearing N-aromatic rings: syntheses, crystal structures and melting points correlation |
Authors of publication | Di Salvo, Florencia; Camargo, Beatriz; García, Yolanda; Teixidor, Francesc; Viñas, Clara; Planas, José Giner; Light, Mark E.; Hursthouse, Michael B. |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 19 |
Pages of publication | 5788 |
a | 9.7297 ± 0.0002 Å |
b | 12.8208 ± 0.0002 Å |
c | 11.5304 ± 0.0002 Å |
α | 90° |
β | 104.902 ± 0.001° |
γ | 90° |
Cell volume | 1389.96 ± 0.04 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0718 |
Residual factor for significantly intense reflections | 0.0596 |
Weighted residual factors for significantly intense reflections | 0.1398 |
Weighted residual factors for all reflections included in the refinement | 0.1476 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
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/7206522.html
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Users of the data should acknowledge the original authors of the
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