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Information card for entry 7238808
Preview
| Coordinates | 7238808.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H13 N O3 |
|---|---|
| Calculated formula | C12 H13 N O3 |
| Title of publication | Synthesis, structure and properties of ethyl naphth[2,3-f]isoindole-1-carboxylate |
| Authors of publication | Seike, Aya; Yamagami, Kaoru; Kakitani, Yoshimasa; Kuwajima, Miki; Uoyama, Hiroki; Nagaoka, Shin-ichi; Nakae, Takahiro; Mori, Shigeki; Okujima, Tetsuo; Uno, Hidemitsu |
| Journal of publication | RSC Advances |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 9 |
| Pages of publication | 3006 |
| a | 10.023 ± 0.002 Å |
| b | 12.899 ± 0.003 Å |
| c | 9.221 ± 0.0018 Å |
| α | 90° |
| β | 115.59 ± 0.003° |
| γ | 90° |
| Cell volume | 1075.2 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0626 |
| Residual factor for significantly intense reflections | 0.0578 |
| Weighted residual factors for significantly intense reflections | 0.1602 |
| Weighted residual factors for all reflections included in the refinement | 0.1699 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.177 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7238808.cif |
| 244366 | 2019-11-28 | cif/ Adding structures of 7238806, 7238807, 7238808, 7238809 via cif-deposit CGI script. |
7238808.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.