Information card for entry 2019311

Structure parameters

• Common name: Lapatinib ditosylate
• Chemical name: 4-({3-Chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)-6-]5-({[2-(methylsulfonyl)ethyl]azaniumyl}methyl)furan-2-yl[quinazolin-1-ium bis(4-methylbenzenesulfonate)
• Formula: C43 H42 Cl F N4 O10 S3
• Calculated formula: C43 H42 Cl F N4 O10 S3
• Title of publication: Tosylate salts of the anticancer drug lapatinib
• Authors of publication: Ravikumar, K.; Sridhar, B.; Nanubolu, Jagadeesh Babu; Rao, A. K. S. Bhujanga; Jyothiprasad, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: 1516 - 1523
• a: 9.2122 ± 0.0006 Å
• b: 13.2387 ± 0.0009 Å
• c: 18.3758 ± 0.0012 Å
• α: 95.387 ± 0.001°
• β: 92.463 ± 0.001°
• γ: 100.359 ± 0.001°
• Cell volume: 2190.7 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No