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Information card for entry 4028760
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| Coordinates | 4028760.cif |
|---|---|
| Structure factors | 4028760.hkl |
| Original paper (by DOI) | HTML |
| Formula | C16 H27 N5 O3 S |
|---|---|
| Calculated formula | C16 H27 N5 O3 S |
| Title of publication | Synthesis of N-substituted Pyrido[4,3-d]pyrimidines for the Large-Scale Production of Self-Assembled Rosettes and Nanotubes |
| Authors of publication | Asuman Durmus; Gorkem Gunbas; Steven C. Farmer; Marilyn M. Olmstead; Mark Mascal; Belete Legese; Jae-Young Cho; Rachel L. Beingessner; Takeshi Yamazaki; Hicham Fenniri |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2013 |
| Journal volume | 78 |
| Pages of publication | 11421 - 11426 |
| a | 12.6924 ± 0.0008 Å |
| b | 14.0725 ± 0.0009 Å |
| c | 17.2084 ± 0.0011 Å |
| α | 73.164 ± 0.004° |
| β | 89.207 ± 0.004° |
| γ | 71.084 ± 0.004° |
| Cell volume | 2772.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1021 |
| Residual factor for significantly intense reflections | 0.0748 |
| Weighted residual factors for significantly intense reflections | 0.2142 |
| Weighted residual factors for all reflections included in the refinement | 0.2313 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.8856 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181926 (current) | 2016-04-07 | hkl/4/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in subrange 4/02. |
4028760.cif 4028760.hkl |
| 180708 | 2016-04-02 | hkl/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4028760.cif 4028760.hkl |
| 180700 | 2016-04-02 | cod/ (antanas@echidna.ibt.lt) Setting the 'svn:keywords' property for all '*.hkl' files that were previously unaffected by this property. |
4028760.cif 4028760.hkl |
| 178466 | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/87. |
4028760.cif 4028760.hkl |
| 103164 | 2014-02-25 | hkl/4 Adding Fobs files for entries coming from J. Org. Chem. and Inorg. Chem. 2013 |
4028760.cif 4028760.hkl |
| 95093 | 2014-01-28 | cif/ Adding structures of 4028760 via cif-deposit CGI script. |
4028760.cif |
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Users of the data should acknowledge the original authors of the
structural data.