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Information card for entry 7235107
Preview
| Coordinates | 7235107.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | cimetidinium fumarate |
|---|---|
| Chemical name | cimetidinium fumarate polymorph 2 |
| Formula | C14 H20 N6 O4 S |
| Calculated formula | C14 H20 N6 O4 S |
| Title of publication | Mechanochemistryvs.solution growth: striking differences in bench stability of a cimetidine salt based on a synthetic method |
| Authors of publication | Ayoub, Ghada; Štrukil, Vjekoslav; Fábián, László; Mottillo, Cristina; Bao, Huizhi; Murata, Yasujiro; Moores, Audrey; Margetić, Davor; Eckert-Maksić, Mirjana; Friščić, Tomislav |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 45 |
| Pages of publication | 7242 |
| a | 13.77 ± 0.001 Å |
| b | 8.0432 ± 0.0005 Å |
| c | 18.9493 ± 0.001 Å |
| α | 90° |
| β | 107.419 ± 0.004° |
| γ | 90° |
| Cell volume | 2002.5 ± 0.2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| RFsqd | 0.05417 |
| Goodness-of-fit parameter for all reflections | 1.14 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5406 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 227796 (current) | 2019-11-14 | cif/ Adding structures of 7235105, 7235106, 7235107 via cif-deposit CGI script. |
7235107.cif |
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