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Information card for entry 4027390
Preview
Coordinates | 4027390.cif |
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Original paper (by DOI) | HTML |
Formula | C24 H24 N O5 P |
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Calculated formula | C24 H24 N O5 P |
SMILES | P1(=O)(OCC(CO1)(C)C)C(c1c2c3c(N(C)c2c(=O)oc1)cccc3)c1ccccc1 |
Title of publication | Palladium-Catalyzed Annulation of Allenes with Indole-2-carboxylic Acid Derivatives: Synthesis of Indolo[2,3-c]pyrane-1-ones via Ar-I Reactivity or C-H Functionalization |
Authors of publication | R. Rama Suresh; K. C. Kumara Swamy |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2012 |
Journal volume | 77 |
Pages of publication | 6959 - 6969 |
a | 11.279 ± 0.0003 Å |
b | 13.8867 ± 0.0004 Å |
c | 14.0971 ± 0.0004 Å |
α | 90° |
β | 95.564 ± 0.003° |
γ | 90° |
Cell volume | 2197.6 ± 0.11 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0618 |
Residual factor for significantly intense reflections | 0.0454 |
Weighted residual factors for significantly intense reflections | 0.1137 |
Weighted residual factors for all reflections included in the refinement | 0.1234 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 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/4027390.html
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