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Information card for entry 4078123
Preview
Coordinates | 4078123.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H28 B20 |
---|---|
Calculated formula | C11 H28 B20 |
SMILES | [BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%159[BH]968[BH]625[BH]251[BH]%11%14([BH]%15962)[C]14%135[C]37%10%12[C@@H]2[C@@H]3[C@H]1[C@H]1[C@H]([C@@]21C)[C]1245[BH]678[BH]9%101[BH]1%112[BH]2%124[BH]4%13%11[BH]%11%101[BH]179[BH]796[BH]24([BH]%13%1117)[C]358%129.[BH]1234[BH]567[BH]89%10[BH]%11%12%13[BH]%14%159[BH]968[BH]625[BH]251[BH]%11%14([BH]%15962)[C]14%135[C]37%10%12[C@H]2[C@H]3[C@@H]1[C@@H]1[C@@H]([C@]21C)[C]1245[BH]678[BH]9%101[BH]1%112[BH]2%124[BH]4%13%11[BH]%11%101[BH]179[BH]796[BH]24([BH]%13%1117)[C]358%129 |
Title of publication | Reaction of Carboryne with Alkylbenzenes |
Authors of publication | Wang, Sunewang Rixin; Xie, Zuowei |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 8 |
Pages of publication | 3316 |
a | 16.2191 ± 0.0011 Å |
b | 9.6468 ± 0.0006 Å |
c | 14.5023 ± 0.001 Å |
α | 90° |
β | 105.859 ± 0.001° |
γ | 90° |
Cell volume | 2182.7 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0808 |
Residual factor for significantly intense reflections | 0.0714 |
Weighted residual factors for significantly intense reflections | 0.2004 |
Weighted residual factors for all reflections included in the refinement | 0.2089 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4078123.html
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Users of the data should acknowledge the original authors of the
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