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Information card for entry 4089015
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4089015.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C56 H94 B2 |
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Calculated formula | C56 H94 B2 |
SMILES | [BH]12([BH]([H]1)([H]2)c1c2C(CC(c2cc2C(CC(c12)(CC)CC)(CC)CC)(CC)CC)(CC)CC)c1c2C(CC(c2cc2C(CC(c12)(CC)CC)(CC)CC)(CC)CC)(CC)CC |
Title of publication | Synthesis and Structural Characteristics of Discrete Organoboron and Organoaluminum Hydrides Incorporating Bulky Eind Groups |
Authors of publication | Murosaki, Takahiro; Kaneda, Shohei; Maruhashi, Ryota; Sadamori, Kazuya; Shoji, Yoshiaki; Tamao, Kohei; Hashizume, Daisuke; Hayakawa, Naoki; Matsuo, Tsukasa |
Journal of publication | Organometallics |
Year of publication | 2016 |
Journal volume | 35 |
Journal issue | 19 |
Pages of publication | 3397 |
a | 12.396 ± 0.002 Å |
b | 23.243 ± 0.004 Å |
c | 26.501 ± 0.005 Å |
α | 97.983 ± 0.004° |
β | 90.176 ± 0.003° |
γ | 94.192 ± 0.004° |
Cell volume | 7541 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.1139 |
Residual factor for significantly intense reflections | 0.0777 |
Weighted residual factors for significantly intense reflections | 0.179 |
Weighted residual factors for all reflections included in the refinement | 0.2019 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
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/4089015.html
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Users of the data should acknowledge the original authors of the
structural data.