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Information card for entry 2018015
Preview
| Coordinates | 2018015.cif |
|---|---|
| Structure factors | 2018015.hkl |
| Original IUCr paper | HTML |
| Common name | <i>N</i>'-[(7-Hydroxy-3',3'-dimethyl-3'<i>H</i>-spiro[chromene-2,1'- isobenzofuran]-8-yl)methylidene]-4-methylbenzohydrazide acetone monosolvate |
|---|---|
| Chemical name | <i>N</i>'-{7'-hydroxy-3,3-dimethyl-3<i>H</i>-spiro[2-benzofuran-1,2'- chromene]-8'-ylmethylidene}-4-methylbenzohydrazide acetone monosolvate |
| Formula | C30 H30 N2 O5 |
| Calculated formula | C30 H30 N2 O5 |
| SMILES | O1C2(OC(c3c2cccc3)(C)C)C=Cc2ccc(O)c(c12)/C=N/NC(=O)c1ccc(cc1)C.O=C(C)C |
| Title of publication | Novel hydrazone derivatives of 7-hydroxy-3',3'-dimethyl-3'<i>H</i>-spiro[chromene-2,1'-isobenzofuran]-8-carbaldehyde |
| Authors of publication | Bulanov, Antony; Shcherbakov, Igor N.; Popov, Leonid D.; Shasheva, E. Y.; Belikov, P. A.; Starikova, Zoya A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 3 |
| Pages of publication | o85 - o88 |
| a | 8.591 ± 0.002 Å |
| b | 17.272 ± 0.005 Å |
| c | 17.569 ± 0.005 Å |
| α | 90° |
| β | 93.265 ± 0.005° |
| γ | 90° |
| Cell volume | 2602.7 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1015 |
| Residual factor for significantly intense reflections | 0.0484 |
| Weighted residual factors for significantly intense reflections | 0.0807 |
| Weighted residual factors for all reflections included in the refinement | 0.0959 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180849 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/80. |
2018015.cif 2018015.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018015.cif 2018015.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018015.cif 2018015.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018015.cif 2018015.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018015.cif 2018015.hkl |
| 17966 | 2011-04-13 | hkl/: adding the rest of Fobs files for the recent IUCr deposit. | 2018015.cif 2018015.hkl |
| 17496 | 2011-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2018014, 2018015 via cif-deposit CGI script. |
2018015.cif |
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