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Information card for entry 7150782
Preview
Coordinates | 7150782.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (R,E)-methyl 6-(1-methoxy-1-oxopropan-2-ylidene)-7-(4- methoxyphenyl)-1,3,4-triphenyl-8-propyl-1,2,4,7-tetraazaspiro(4.4)nona- 2,8-diene-9-carboxylate |
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Formula | C39 H38 N4 O5 |
Calculated formula | C39 H38 N4 O5 |
SMILES | O=C(OC)/C(=C\1N(c2ccc(OC)cc2)C(=C(C21N(N=C(N2c1ccccc1)c1ccccc1)c1ccccc1)C(=O)OC)CCC)C |
Title of publication | Synthesis of novel synthetic intermediates from the reaction of benzimidazole and triazole carbenes with ketenimines and their application in the construction of spiro-pyrroles |
Authors of publication | Mo, Jun-Ming; Ma, Yang-Guang; Cheng, Ying |
Journal of publication | Organic & Biomolecular Chemistry |
Year of publication | 2009 |
Journal volume | 7 |
Journal issue | 23 |
Pages of publication | 5010 - 5019 |
a | 9.2415 ± 0.0009 Å |
b | 20.801 ± 0.002 Å |
c | 17.049 ± 0.0016 Å |
α | 90° |
β | 92.631 ± 0.004° |
γ | 90° |
Cell volume | 3273.9 ± 0.5 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0596 |
Residual factor for significantly intense reflections | 0.0466 |
Weighted residual factors for significantly intense reflections | 0.1108 |
Weighted residual factors for all reflections included in the refinement | 0.118 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.7107 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/7150782.html
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Users of the data should acknowledge the original authors of the
structural data.