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Information card for entry 4109751
Preview
Coordinates | 4109751.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C33 H41 B N2 O |
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Calculated formula | C33 H41 B N2 O |
SMILES | B1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)C(=O)c1ccccc1 |
Title of publication | Synthesis, Structure of Borylmagnesium, and Its Reaction with Benzaldehyde to Form Benzoylborane |
Authors of publication | Makoto Yamashita; Yuta Suzuki; Yasutomo Segawa; Kyoko Nozaki |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Pages of publication | 9570 - 9571 |
a | 12.66 ± 0.006 Å |
b | 15.48 ± 0.008 Å |
c | 14.755 ± 0.007 Å |
α | 90 ± 0.002° |
β | 90.479 ± 0.002° |
γ | 90 ± 0.002° |
Cell volume | 2892 ± 2 Å3 |
Cell temperature | 103.15 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.0782 |
Residual factor for significantly intense reflections | 0.0572 |
Weighted residual factors for significantly intense reflections | 0.1295 |
Weighted residual factors for all reflections included in the refinement | 0.1415 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4109751.cif |
178843 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/97. |
4109751.cif |
120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109751.cif |
58529 | 2012-05-29 | cif/ Adding structures of 4109751 via cif-deposit CGI script. |
4109751.cif |
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Users of the data should acknowledge the original authors of the
structural data.