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Information card for entry 7160585
Preview
| Coordinates | 7160585.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H17 N3 O2 |
|---|---|
| Calculated formula | C16 H17 N3 O2 |
| Title of publication | Conjugate addition/ cyclization of aliphatic aldehydes with isatylidene malononitriles: An Efficient one-pot organocatalytic approach for the synthesis of 3'-alkyl spiro[2H-pyran-3,4′-indoline] |
| Authors of publication | Patil, Baliram Raosaheb; Nichinde, Chandrakant Bhagwan; Girase, Amardipsing S.; Chaudhari, Suryakant Shivaji; Kinage, Anil Kisan |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 9.303 ± 0.0013 Å |
| b | 8.9537 ± 0.0013 Å |
| c | 17.411 ± 0.002 Å |
| α | 90° |
| β | 97.146 ± 0.004° |
| γ | 90° |
| Cell volume | 1439 ± 0.3 Å3 |
| Cell temperature | 150.15 K |
| Ambient diffraction temperature | 150.15 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 | 0.1001 |
| Residual factor for significantly intense reflections | 0.0626 |
| Weighted residual factors for significantly intense reflections | 0.1188 |
| Weighted residual factors for all reflections included in the refinement | 0.1334 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300008 (current) | 2025-06-07 | cif/ Adding structures of 7160584, 7160585 via cif-deposit CGI script. |
7160585.cif |
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Users of the data should acknowledge the original authors of the
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