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Information card for entry 7238806
Preview
| Coordinates | 7238806.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H20 O3 S |
|---|---|
| Calculated formula | C17 H20 O3 S |
| 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 | 32.099 ± 0.006 Å |
| b | 6.2507 ± 0.0005 Å |
| c | 18.637 ± 0.003 Å |
| α | 90° |
| β | 122.027 ± 0.006° |
| γ | 90° |
| Cell volume | 3170.2 ± 0.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0429 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0947 |
| Weighted residual factors for all reflections included in the refinement | 0.0988 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| 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. |
7238806.cif |
| 244366 | 2019-11-28 | cif/ Adding structures of 7238806, 7238807, 7238808, 7238809 via cif-deposit CGI script. |
7238806.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.