Information card for entry 1574148

Structure parameters

• Common name: BILASTINE DI SULFATE TETRA HYDRATE
• Chemical name: BILASTINE DI SULFATE TETRA HYDRATE
• Formula: C28 H47 N3 O15 S2
• Calculated formula: C28 H47 N3 O15 S2
• 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: 11.8559 ± 0.0011 Å
• b: 34.775 ± 0.003 Å
• c: 8.4372 ± 0.0008 Å
• α: 90°
• β: 90.259 ± 0.005°
• γ: 90°
• Cell volume: 3478.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.122
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.1755
• Weighted residual factors for all reflections included in the refinement: 0.1958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No