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Information card for entry 4025710
Preview
| Coordinates | 4025710.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C31 H28 N2 O |
|---|---|
| Calculated formula | C31 H28 N2 O |
| SMILES | C12c3ccccc3C(=C2)C=C2C=CC(=Cc3c(C)c(CC)c(C=c4nc(C=1)c(c4CC)C)[nH]3)O2 |
| Title of publication | Preparation of Furan and Thiophene-Derived Fulvene Dialdehydes: Synthesis and Structural Characterization of a 22-Oxa-21-carbaporphyrin and a Related Palladium(II) Organometallic Complex |
| Authors of publication | Pankaj Jain; Gregory M. Ferrence; Timothy D. Lash |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2010 |
| Journal volume | 75 |
| Pages of publication | 6563 - 6573 |
| a | 9.2564 ± 0.0016 Å |
| b | 10.2025 ± 0.0017 Å |
| c | 13.072 ± 0.002 Å |
| α | 81.894 ± 0.002° |
| β | 74.682 ± 0.002° |
| γ | 77.448 ± 0.002° |
| Cell volume | 1157.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0722 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.1174 |
| Weighted residual factors for all reflections included in the refinement | 0.1346 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 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. |
4025710.cif |
| 178436 | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/57. |
4025710.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4025710.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4025710.cif |
| 11515 | 2011-02-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4025710 via cif-deposit CGI script. |
4025710.cif |
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Users of the data should acknowledge the original authors of the
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