Information card for entry 1574146

Structure parameters

• Common name: BILASTINE PHOSPHATE DIMETHANOLATE
• Chemical name: BILASTINE PHOSPHATE DIMETHANOLATE
• Formula: C30 H48 N3 O9 P
• Calculated formula: C30 H48 N3 O9 P
• Title of publication: Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer
• Authors of publication: Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 2317 - 2332
• a: 8.9527 ± 0.0017 Å
• b: 11.559 ± 0.002 Å
• c: 16.499 ± 0.003 Å
• α: 100.869 ± 0.006°
• β: 100.793 ± 0.006°
• γ: 97.455 ± 0.007°
• Cell volume: 1622.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.1047
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.2019
• Weighted residual factors for all reflections included in the refinement: 0.224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No