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Information card for entry 4104761
Preview
| Coordinates | 4104761.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | diindeno[1,2,3-bc:1',2',3'-hi]corannulene |
|---|---|
| Formula | C32 H14 |
| Calculated formula | C32 H14 |
| SMILES | c1c2c3c4c5c(cc6c7ccccc7c(c46)c2)cc2c4ccccc4c4c2c5c3c(c1)c4 |
| Title of publication | Aromatic π-Systems More Curved Than C60. The Complete Family of All Indenocorannulenes Synthesized by Iterative Microwave-Assisted Intramolecular Arylations |
| Authors of publication | Brian D. Steinberg; Edward A. Jackson; Alexander S. Filatov; Atsushi Wakamiya; Marina A. Petrukhina; Lawrence T. Scott |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 10537 - 10545 |
| a | 26.018 ± 0.005 Å |
| b | 9.2556 ± 0.0016 Å |
| c | 7.6909 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1852.1 ± 0.6 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 36 |
| Hermann-Mauguin space group symbol | C m c 21 |
| Hall space group symbol | C 2c -2 |
| Residual factor for all reflections | 0.0417 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.0884 |
| Weighted residual factors for all reflections included in the refinement | 0.0905 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178793 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/47. |
4104761.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104761.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104761.cif |
| 29791 | 2011-11-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4104761 via cif-deposit CGI script. |
4104761.cif |
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Users of the data should acknowledge the original authors of the
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