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Information card for entry 4038320
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Coordinates | 4038320.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | naphthalyl pyrrole |
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Formula | C33 H27 Cl N O5 |
Calculated formula | C33 H27 Cl N O5 |
Title of publication | Regiodivergent Synthesis of Penta-Substituted Pyrroles through a Cascade [3+2] Cyclisation of C-acylimines with Activated-Alkynes and Aromatic Nucleophiles. |
Authors of publication | Vannada, Jagadeshwar; Sulthan, Mahesh; Arun, Doma; Dada, Ravikrishna; Yaragorla, Srinivasarao |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2020 |
a | 12.078 ± 0.0019 Å |
b | 21.49 ± 0.003 Å |
c | 12.2066 ± 0.0018 Å |
α | 90° |
β | 117.223 ± 0.005° |
γ | 90° |
Cell volume | 2817.4 ± 0.7 Å3 |
Cell temperature | 297 ± 2 K |
Ambient diffraction temperature | 297 ± 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 | 0.0679 |
Residual factor for significantly intense reflections | 0.0589 |
Weighted residual factors for significantly intense reflections | 0.1695 |
Weighted residual factors for all reflections included in the refinement | 0.1766 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
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/4038320.html
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