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Information card for entry 1504318
Preview
| Coordinates | 1504318.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H33 N O7 S |
|---|---|
| Calculated formula | C21 H33 N O7 S |
| Title of publication | Practical Synthesis of Chiral 2-Morpholine: (4-Benzylmorpholin-2-(S)-yl)-(tetrahydropyran-4-yl)methanone Mesylate, a Useful Pharmaceutical Intermediate |
| Authors of publication | Kopach, Michael E.; Singh, Utpal K.; Kobierski, Michael E.; Trankle, William G.; Murray, Michael M.; Pietz, Mark A.; Forst, Mindy B.; Stephenson, Gregory A.; Mancuso, Vincent; Giard, Thierry; Vanmarsenille, Michel; DeFrance, Thierry |
| Journal of publication | Organic Process Research & Development |
| Year of publication | 2009 |
| Journal volume | 13 |
| Journal issue | 2 |
| Pages of publication | 209 |
| a | 6.0017 ± 0.0002 Å |
| b | 12.0689 ± 0.0003 Å |
| c | 29.9339 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2168.23 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0781 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.165 |
| Weighted residual factors for all reflections included in the refinement | 0.1737 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198667 (current) | 2017-07-12 | cif/1/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entries 1100147, 1101109, 1101141, 1500018, 1504625, 1505017, 1540032, 1540033, 1541802, 1541825, 1541826, 1541827, 1541865, 1541877. |
1504318.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1504318.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1504318.cif |
| 40745 | 2012-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 1504318 via cif-deposit CGI script. |
1504318.cif |
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Users of the data should acknowledge the original authors of the
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