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Information card for entry 2107507
Preview
| Coordinates | 2107507.cif |
|---|---|
| Structure factors | 2107507.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Methyl 6'-amino,5'-cyano-1-methyl-2-oxo-2'H-spiro [indoline-3,4'-pyrano[2,3-c]pyrazole]-3'-carboxylate |
|---|---|
| Formula | C68 H52 N20 O17 |
| Calculated formula | C68 H54 N20 O17 |
| Title of publication | One-pot green synthesis of biologically relevant novel spiro[indolin-2-one-3,4'-pyrano[2,3-<i>c</i>]pyrazoles] and studies on their spectral and X-ray crystallographic behaviors |
| Authors of publication | Sharma, Sakshi; Brahmachari, Goutam; Kant, Rajni; Gupta, Vivek K. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 3 |
| Pages of publication | 335 - 343 |
| a | 7.6155 ± 0.0006 Å |
| b | 27.2024 ± 0.0012 Å |
| c | 16.0187 ± 0.0013 Å |
| α | 90° |
| β | 98.988 ± 0.008° |
| γ | 90° |
| Cell volume | 3277.7 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0973 |
| Residual factor for significantly intense reflections | 0.0517 |
| Weighted residual factors for significantly intense reflections | 0.1158 |
| Weighted residual factors for all reflections included in the refinement | 0.1386 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194474 (current) | 2017-03-24 | cif/2/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entries 2000907, 2001009, 2001185, 2001555, 2001573, 2003195, 2003564, 2004211, 2004576, 2005145, 2005376, 2005891, 2006019, 2006323, 2006422, 2006543, 2006707, 2007423, 2007808, 2008459, 2009137, 2009629, 2010101, 2010269, 2010445, 2010724, 2010957, 2011116, 2011304, 2011690, 2013014, 2013063, 2014090, 2015472, 2016482, 2020637, 2101407, 2103568, 2103609, 2106571, 2107166, 2107507, 2300624, 2310525, 2310646. |
2107507.cif 2107507.hkl |
| 183632 | 2016-06-17 | cif/ Updating files of 2107505, 2107506, 2107507 Original log message: Adding full bibliography for 2107505--2107507.cif. |
2107507.cif 2107507.hkl |
| 182943 | 2016-05-14 | cif/ hkl/ Adding structures of 2107505, 2107506, 2107507 via cif-deposit CGI script. |
2107507.cif 2107507.hkl |
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Users of the data should acknowledge the original authors of the
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