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Information card for entry 2020279
Preview
| Coordinates | 2020279.cif |
|---|---|
| Structure factors | 2020279.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1''-Acetyl-1-benzyl-4',5'-diphenyl-4',5'-dihydrodispiro[indoline-3,2'-furan-3',3''-indoline]-2,2''-dione acetonitrile hemisolvate |
|---|---|
| Formula | C40 H31.5 N2.5 O4 |
| Calculated formula | C40 H31.5 N2.5 O4 |
| Title of publication | Structural consequences of weak interactions in dispirooxindole derivatives |
| Authors of publication | Ravikumar, Krishnan; Sridhar, Balasubramanian; Nanubolu, Jagadeesh Babu; Karthik, Govindaraju; Reddy, Basi Venkata Subba |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 11 |
| a | 9.694 ± 0.0005 Å |
| b | 18.581 ± 0.001 Å |
| c | 20.1552 ± 0.0011 Å |
| α | 114.872 ± 0.002° |
| β | 98.465 ± 0.002° |
| γ | 99.397 ± 0.002° |
| Cell volume | 3153.6 ± 0.3 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 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 | 0.0849 |
| Residual factor for significantly intense reflections | 0.0582 |
| Weighted residual factors for significantly intense reflections | 0.1325 |
| Weighted residual factors for all reflections included in the refinement | 0.147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181872 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/02 |
2020279.cif 2020279.hkl |
| 169772 | 2015-10-28 | cif/ hkl/ Adding structures of 2020276, 2020277, 2020278, 2020279 via cif-deposit CGI script. |
2020279.cif 2020279.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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Users of the data should acknowledge the original authors of the
structural data.