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Information card for entry 4024966
Preview
| Coordinates | 4024966.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H20 |
|---|---|
| Calculated formula | C30 H20 |
| SMILES | c1cccc2C3C4c5ccccc5C5c6ccccc6C4C3c3c(C=5c12)cccc3 |
| Title of publication | Cage Hydrocarbons Derived from Dibenzosuberenone |
| Authors of publication | Marcus Pillekamp; Wasim Alachraf; Iris M. Oppel; Gerald Dyker |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2009 |
| Journal volume | 74 |
| Pages of publication | 8355 - 8358 |
| a | 8.8072 ± 0.0011 Å |
| b | 9.2438 ± 0.0016 Å |
| c | 12.3485 ± 0.0018 Å |
| α | 105.775 ± 0.014° |
| β | 101.242 ± 0.012° |
| γ | 92.776 ± 0.012° |
| Cell volume | 943.4 ± 0.3 Å3 |
| Cell temperature | 108 ± 2 K |
| Ambient diffraction temperature | 108 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0603 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0892 |
| Weighted residual factors for all reflections included in the refinement | 0.0944 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.933 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288183 (current) | 2023-12-08 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9827. This change affected only the misspelt variants of the '_atom_site_symmetry_multiplicity' data name. |
4024966.cif |
| 178428 | 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 4/02/49. |
4024966.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4024966.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4024966.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4024966.cif |
| 948 | 2010-01-19 | cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition. |
4024966.cif |
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