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Information card for entry 1505346
Preview
Coordinates | 1505346.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C80 H88 Ca2 N4 O20 |
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Calculated formula | C80 H88 Ca2 N4 O20 |
SMILES | [Ca]1234([O]=C(C(=C\c5ccccc5)/c5ccccc5NC(=O)OC(C)(C)C)[O]1[Ca]1(OC(=O)C(=C\c5ccccc5)/c5ccccc5NC(=[O]2)OC(C)(C)C)([O]=C([O]31)/C(=C\c1ccccc1)c1ccccc1NC(=O)OC(C)(C)C)([O]=C(Nc1c(C(=C\c2ccccc2)\C(=O)O4)cccc1)OC(C)(C)C)([OH2])[OH2])([OH2])[OH2] |
Title of publication | Development and application of a direct vinyl lithiation of cis-stilbene and a directed vinyl lithiation of an unsymmetrical cis-stilbene. |
Authors of publication | Cotter, Juliet; Hogan, Anne-Marie L; O'Shea, Donal F |
Journal of publication | Organic letters |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 8 |
Pages of publication | 1493 - 1496 |
a | 9.962 ± 0.003 Å |
b | 14.881 ± 0.004 Å |
c | 15.08 ± 0.005 Å |
α | 65.539 ± 0.005° |
β | 77.155 ± 0.005° |
γ | 81.79 ± 0.005° |
Cell volume | 1980.7 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1138 |
Residual factor for significantly intense reflections | 0.0513 |
Weighted residual factors for significantly intense reflections | 0.0968 |
Weighted residual factors for all reflections included in the refinement | 0.1162 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.94 |
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/1505346.html
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Users of the data should acknowledge the original authors of the
structural data.