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Information card for entry 4028776
Preview
Coordinates | 4028776.cif |
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Original paper (by DOI) | HTML |
Formula | C34 H38 B N O2 |
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Calculated formula | C34 H38 B N O2 |
SMILES | [B]1([N](=Cc2c1cccc2)Cc1c(OC)cc(OC)cc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)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 | 11.0791 ± 0.0002 Å |
b | 11.447 ± 0.0002 Å |
c | 12.2458 ± 0.0002 Å |
α | 100.964 ± 0.001° |
β | 112.053 ± 0.001° |
γ | 92.043 ± 0.001° |
Cell volume | 1403.33 ± 0.04 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0596 |
Residual factor for significantly intense reflections | 0.0548 |
Weighted residual factors for significantly intense reflections | 0.1384 |
Weighted residual factors for all reflections included in the refinement | 0.1436 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
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/4028776.html
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Users of the data should acknowledge the original authors of the
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