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Information card for entry 4130588
Preview
| Coordinates | 4130588.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C220 H230 N10 |
|---|---|
| Calculated formula | C220 H230 N10 |
| Title of publication | Template Synthesis of Decaphyrin without Meso-Bridges: Cyclo[10]pyrrole. |
| Authors of publication | Okujima, Tetsuo; Ando, Chie; Agrawal, Saurabh; Matsumoto, Hiroki; Mori, Shigeki; Ohara, Keishi; Hisaki, Ichiro; Nakae, Takahiro; Takase, Masayoshi; Uno, Hidemitsu; Kobayashi, Nagao |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2016 |
| Journal volume | 138 |
| Journal issue | 24 |
| Pages of publication | 7540 - 7543 |
| a | 13.8029 ± 0.0002 Å |
| b | 24.1019 ± 0.0004 Å |
| c | 24.1387 ± 0.0003 Å |
| α | 114.836 ± 0.0007° |
| β | 97.8836 ± 0.0007° |
| γ | 103.484 ± 0.0005° |
| Cell volume | 6830.69 ± 0.18 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.13 |
| Residual factor for significantly intense reflections | 0.113 |
| Weighted residual factors for significantly intense reflections | 0.2844 |
| Weighted residual factors for all reflections included in the refinement | 0.2909 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.206 |
| Diffraction radiation wavelength | 0.8 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301835 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure. |
4130588.cif |
| 240988 | 2019-11-25 | cif/ Adding structures of 4130588 via cif-deposit CGI script. |
4130588.cif |
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Users of the data should acknowledge the original authors of the
structural data.