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Information card for entry 1503138
Preview
Coordinates | 1503138.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23.5 H35 N O5.5 Si |
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Calculated formula | C21 H29 N O5 Si |
SMILES | C1(C(=C[C@@]2([C@@H]3c4c(cccc4[C@H]([C@](C3)(C)O2)O[Si](C)(C)C)OC)O1)CCO)=N.C1(C(=C[C@]2([C@H]3c4c(cccc4[C@@H]([C@@](C3)(C)O2)O[Si](C)(C)C)OC)O1)CCO)=N |
Title of publication | Synthesis of the isoquinocycline-pyrrolopyrrole substructure. |
Authors of publication | Cordes, Jens; Harms, Klaus; Koert, Ulrich |
Journal of publication | Organic letters |
Year of publication | 2010 |
Journal volume | 12 |
Journal issue | 17 |
Pages of publication | 3808 - 3811 |
a | 16.3448 ± 0.001 Å |
b | 7.0192 ± 0.0003 Å |
c | 23.9179 ± 0.0015 Å |
α | 90° |
β | 98.978 ± 0.005° |
γ | 90° |
Cell volume | 2710.4 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1153 |
Residual factor for significantly intense reflections | 0.0665 |
Weighted residual factors for significantly intense reflections | 0.1436 |
Weighted residual factors for all reflections included in the refinement | 0.1585 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.913 |
Diffraction radiation probe | x-ray |
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/1503138.html
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Users of the data should acknowledge the original authors of the
structural data.