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Information card for entry 7153888
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| Coordinates | 7153888.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Dimethyl 3-phenylnaphtho[1,2-b]furan-2,2(3H)-bis(carbimidate) |
|---|---|
| Formula | C22 H20 N2 O3 |
| Calculated formula | C22 H20 N2 O3 |
| SMILES | O1c2c(C(c3ccccc3)C1(C(OC)=N)C(OC)=N)ccc1c2cccc1 |
| Title of publication | "One-pot" access to dihydrofurans via tandem oxidative difunctionalization and ring contraction of aminopyrans. |
| Authors of publication | Mandha, Santhosh Reddy; Alla, Manjula; Nanubolu, Jagadeesh Babu |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2014 |
| Journal volume | 12 |
| Journal issue | 25 |
| Pages of publication | 4412 - 4420 |
| a | 15.9828 ± 0.0014 Å |
| b | 6.8208 ± 0.0006 Å |
| c | 34.232 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3731.8 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0419 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0986 |
| Weighted residual factors for all reflections included in the refinement | 0.1018 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7153888.cif |
| 180324 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/38. |
7153888.cif |
| 171772 | 2015-12-31 | cif/ (antanas@kurmis) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries. |
7153888.cif |
| 116106 | 2014-06-07 | cif/ Adding structures of 7153887, 7153888 via cif-deposit CGI script. |
7153888.cif |
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Users of the data should acknowledge the original authors of the
structural data.