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Information card for entry 2240140
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| Coordinates | 2240140.cif |
|---|---|
| Structure factors | 2240140.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 3,13-dimethoxy-5,6,10,11-tetrahydrofuro[3,4-<i>i</i>][5]helicene-7,9-dione |
|---|---|
| Formula | C26 H20 O5 |
| Calculated formula | C26 H20 O5 |
| SMILES | O(c1ccc2c(c1)CCc1c3c(c4CCc5cc(OC)ccc5c4c21)C(=O)OC3=O)C |
| Title of publication | Crystal structure of 3,13-dimethoxy-5,6,10,11-tetrahydrofuro[3,4-<i>i</i>][5]helicene-7,9-dione |
| Authors of publication | Sooksimuang, Thanasat; Kamtonwong, Siriporn; Parnchan, Waraporn; Kangkaew, Laongdao; Sahasithiwat, Somboon |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | 418 - 420 |
| a | 8.757 ± 0.0009 Å |
| b | 15.9008 ± 0.0016 Å |
| c | 16.2987 ± 0.0016 Å |
| α | 61.695 ± 0.003° |
| β | 84.535 ± 0.003° |
| γ | 84.46 ± 0.003° |
| Cell volume | 1985.6 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0913 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.1162 |
| Weighted residual factors for all reflections included in the refinement | 0.1395 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181901 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/01 |
2240140.cif 2240140.hkl |
| 181321 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/01. |
2240140.cif 2240140.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240140.cif 2240140.hkl |
| 125974 | 2014-10-30 | cif/ hkl/ Adding structures of 2240140 via cif-deposit CGI script. |
2240140.cif 2240140.hkl |
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Users of the data should acknowledge the original authors of the
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