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Information card for entry 1519113
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1519113.cif |
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Formula | C11 H30 B12 N |
---|---|
Calculated formula | C11 H30 B12 N |
SMILES | [N+](Cc1ccccc1)(C)(C)C.[BH]1234[BH]567[BH]891[BH]1%10%11[BH]%12%13%14[B]%15%16%17([BH]%185([BH]36%16[BH]2%12%15[BH]481%13)[BH]%10%14%17[BH]79%11%18)C |
Title of publication | 90MH25 - C11H26NB11F |
Authors of publication | Morris, John N.; Harman, Mary; Hursthouse, Michael B. |
Journal of publication | Crystal Structure Report Archive |
Year of publication | 1991 |
Pages of publication | 1028 |
a | 12.031 ± 0.001 Å |
b | 12.11 ± 0.002 Å |
c | 13.98 ± 0.003 Å |
α | 90.51 ± 0.01° |
β | 110.79 ± 0.02° |
γ | 91.04 ± 0.01° |
Cell volume | 1903.6 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1475 |
Residual factor for significantly intense reflections | 0.1185 |
Weighted residual factors for significantly intense reflections | 0.3196 |
Weighted residual factors for all reflections included in the refinement | 0.3484 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.939 |
Diffraction radiation wavelength | 0.71069 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/1519113.html
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