Information card for entry 2003291

Structure parameters

• Formula: C21 H28 Cl N2 O2
• Calculated formula: C21 H24 Cl N2 O2
• Title of publication: 9-(4-Methyl-1-piperazinyl)-9,10-dihydro-9,10-ethanoanthracene Hydrochloride Dihydrate (Trazitilin)
• Authors of publication: Brouant, P.; Giorgi, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 3
• Pages of publication: 434 - 436
• a: 7.84 ± 0.01 Å
• b: 18.4 ± 0.02 Å
• c: 7.65 ± 0.03 Å
• α: 99.35 ± 0.02°
• β: 114.48 ± 0.03°
• γ: 80.64 ± 0.02°
• Cell volume: 985 ± 4 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.054
• Goodness-of-fit parameter for significantly intense reflections: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No