Information card for entry 2003392

Structure parameters

• Chemical name: 2-Methylthio-10,11-dihydro-11-(4-methylpiperazin-1-yl)dibenzo[b,f]thiepine maleic acid
• Formula: C24 H28 N2 O4 S2
• Calculated formula: C24 H28 N2 O4 S2
• Title of publication: 2-Methylthio-10,11-dihydro-11-(4-methylpiperazin-1-yl)dibenzo[<i>b</i>,<i>f</i>]thiepine Maleic Acid (Metitepine Maleate)
• Authors of publication: Blaton, N. M.; Peeters, O. M.; De Ranter, C. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 777 - 780
• a: 10.206 ± 0.002 Å
• b: 9.692 ± 0.001 Å
• c: 24.498 ± 0.001 Å
• α: 90°
• β: 91.91 ± 0.02°
• γ: 90°
• Cell volume: 2421.9 ± 0.5 ų
• 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections: 0.173
• Weighted residual factors for significantly intense reflections: 0.1492
• Goodness-of-fit parameter for all reflections: 1.051
• Goodness-of-fit parameter for significantly intense reflections: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No