Information card for entry 7218029

Structure parameters

• 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 ų
• 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~
• Duplicate of: 7217071
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No