Information card for entry 7125356

Structure parameters

• Chemical name: Fentanyl citrate
• Formula: C28 H36 N2 O8
• Calculated formula: C28 H36 N2 O8
• Title of publication: H-Bonded anion-anion complexes in fentanyl citrate polymorphs and solvates.
• Authors of publication: Barbas, Rafael; Prohens, Rafel; Bauzá, Antonio; Franconetti, Antonio; Frontera, Antonio
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2019
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 115 - 118
• a: 8.963 ± 0.0005 Å
• b: 11.2533 ± 0.0007 Å
• c: 14.874 ± 0.0009 Å
• α: 109.411 ± 0.002°
• β: 96.728 ± 0.002°
• γ: 107.486 ± 0.002°
• Cell volume: 1309.72 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No