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Information card for entry 7217071
Preview
| Coordinates | 7217071.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Rifampicin |
|---|---|
| Chemical name | (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11- methoxy-3,7,12,14,16,18,22-heptamethyl-26-{(E)-[(4-methylpiperazin-1-yl)imino] methyl}-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1 (28),2,4,9,19,21,25(29),26-octaen-13-yl acetate |
| Formula | C43 H58 N4 O12 |
| Calculated formula | C43 H58 N4 O12 |
| Title of publication | Structural characterization of form I of anhydrous rifampicin |
| Authors of publication | Ibiapino, Amanda Laura; Seiceira, Rafael Cardoso; Pitaluga, Altivo; Trindade, Antonio Carlos; Ferreira, Fabio Furlan |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 36 |
| Pages of publication | 8555 |
| a | 25.8844 ± 0.0002 Å |
| b | 14.2964 ± 0.0002 Å |
| c | 14.2795 ± 0.0002 Å |
| α | 90° |
| β | 122.98 ± 0.01° |
| γ | 90° |
| Cell volume | 4432.7 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 K |
| Ambient diffracton pressure | 100 kPa |
| Number of distinct elements | 4 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| RFsqd | 0.00847 |
| Residual factor R(I) for significantly intense reflections | 0.01984 |
| Goodness-of-fit parameter for all reflections | 1.767 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα~1~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180501 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/70. |
7217071.cif |
| 123407 | 2014-09-08 | cif/ Updating files of 7217071 Original log message: Adding full bibliography for 7217071.cif. |
7217071.cif |
| 119608 | 2014-07-08 | cif/ Adding structures of 7217071 via cif-deposit CGI script. |
7217071.cif |
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