Information card for entry 7246649

Structure parameters

• Chemical name: Famciclovir anhydrate
• Formula: C14 H19 N5 O4
• Calculated formula: C14 H19 N5 O4
• SMILES: O=C(OCC(CCn1c2nc(ncc2nc1)N)COC(=O)C)C
• Title of publication: Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum
• Authors of publication: Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 17
• Pages of publication: 2662 - 2678
• a: 11.005 ± 0.004 Å
• b: 12.739 ± 0.004 Å
• c: 11.783 ± 0.004 Å
• α: 90°
• β: 107.323 ± 0.012°
• γ: 90°
• Cell volume: 1577 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0576
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No