Information card for entry 2311644

Structure parameters

• Common name: NF adipate
• Formula: C44 H56 F2 N6 O14
• Calculated formula: C44 H56 F2 N6 O14
• SMILES: [O-]C(=O)CCCCC(=O)[O-].OC(=O)CCCCC(=O)O.O=C(O)C1=CN(c2c(C1=O)cc(F)c(N1CC[NH2+]CC1)c2)CC.OC(=O)C1C(=O)c2cc(F)c(N3CC[NH2+]CC3)cc2N(C=1)CC
• Title of publication: Supramolecular structures and physicochemical properties of norfloxacin salts.
• Authors of publication: Xu, Yun; Jiang, Linglei; Mei, Xuefeng
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2014
• Journal volume: 70
• Journal issue: Pt 4
• Pages of publication: 750 - 760
• a: 9.4994 ± 0.0003 Å
• b: 14.3694 ± 0.0004 Å
• c: 18.1458 ± 0.0005 Å
• α: 103.853 ± 0.001°
• β: 96.528 ± 0.001°
• γ: 106.946 ± 0.002°
• Cell volume: 2255.11 ± 0.12 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: 0.0715
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No