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Information card for entry 4121937
Preview
| Coordinates | 4121937.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Bisporphirin |
|---|---|
| Chemical name | Bis(5,10,15,20-tetraphenyl-porphirin) |
| Formula | C94.45 H72.9 Cl0.9 N8 |
| Calculated formula | C94.45 H72.9 Cl0.9 N8 |
| Title of publication | Axially Chiral β,β'-Bisporphyrins: Synthesis and Configurational Stability Tuned by the Central Metals |
| Authors of publication | Bringmann, Gerhard; Götz, Daniel C. G.; Gulder, Tobias A. M.; Gehrke, Tim H.; Bruhn, Torsten; Kupfer, Thomas; Radacki, Krzysztof; Braunschweig, Holger; Heckmann, Alexander; Lambert, Christoph |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2008 |
| Journal volume | 130 |
| Journal issue | 52 |
| Pages of publication | 17812 - 17825 |
| a | 13.0576 ± 0.0011 Å |
| b | 14.7944 ± 0.0011 Å |
| c | 18.9761 ± 0.0015 Å |
| α | 96.118 ± 0.004° |
| β | 90.411 ± 0.004° |
| γ | 106.267 ± 0.004° |
| Cell volume | 3496.4 ± 0.5 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 | 0.1017 |
| Residual factor for significantly intense reflections | 0.0657 |
| Weighted residual factors for significantly intense reflections | 0.1578 |
| Weighted residual factors for all reflections included in the refinement | 0.1819 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 4108923 |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218555 (current) | 2019-09-19 | cif/4/ Marked entries 4121936-4121937 as duplicates of entries 4108922-4108923. |
4121937.cif |
| 218554 | 2019-09-19 | cif/4/ Updated bibliographic information in entries 4108922-4108923, 4121936-4121937. |
4121937.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. |
4121937.cif |
| 115446 | 2014-06-03 | cif/ Adding structures of 4121937 via cif-deposit CGI script. |
4121937.cif |
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