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Information card for entry 4025729
Preview
| Coordinates | 4025729.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C32 H30 N2 |
|---|---|
| Calculated formula | C32 H30 N2 |
| SMILES | n1c2ccccc2c(c2ccccc2NCc2ccccc2)c(c1c1ccccc1)CCCC |
| Title of publication | Tandem Synthesis of 2,3-Dihydro-4-iminoquinolines via Three-Component Alkyne-Imine Metathesis |
| Authors of publication | Akio Saito; Jun Kasai; Tomoyo Konishi; Yuji Hanzawa |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2010 |
| Journal volume | 75 |
| Pages of publication | 6980 - 6982 |
| a | 9.10987 ± 0.00019 Å |
| b | 11.5457 ± 0.0003 Å |
| c | 13.0695 ± 0.0003 Å |
| α | 74.323 ± 0.0014° |
| β | 79.684 ± 0.0014° |
| γ | 66.175 ± 0.0012° |
| Cell volume | 1206.9 ± 0.05 Å3 |
| Cell temperature | 93 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for all reflections included in the refinement | 0.1058 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301812 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
4025729.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4025729.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4025729.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4025729.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4025729.cif |
| 11534 | 2011-02-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4025729 via cif-deposit CGI script. |
4025729.cif |
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Users of the data should acknowledge the original authors of the
structural data.