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Information card for entry 4028781
Preview
Coordinates | 4028781.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H34 B N O |
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Calculated formula | C33 H34 B N O |
SMILES | [N]1([B](c2c(cccc2)C=1C(=O)c1ccccc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C |
Title of publication | Modification and Unexpected Reactivity of 2-Borylbenzaldimines: Acylated and Silylated Derivatives as Well as Dimeric Compounds |
Authors of publication | Benedikt Neue; Atsushi Wakamiya; Roland Fröhlich; Birgit Wibbeling; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 11747 - 11755 |
a | 29.1131 ± 0.0006 Å |
b | 10.8631 ± 0.0002 Å |
c | 18.7653 ± 0.0004 Å |
α | 90° |
β | 116.993 ± 0.001° |
γ | 90° |
Cell volume | 5288.17 ± 0.19 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0918 |
Residual factor for significantly intense reflections | 0.0683 |
Weighted residual factors for significantly intense reflections | 0.1474 |
Weighted residual factors for all reflections included in the refinement | 0.1628 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
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/4028781.html
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