Information card for entry 7053899

Structure parameters

• Formula: C36 H41 F N3 O6 P
• Calculated formula: C36 H41 F N3 O6 P
• SMILES: P(=O)(CN1CCN(CC1)c1c(F)cc2c(c1)n(cc(c2=O)C(=O)O)C1CC1)(c1ccccc1)c1ccccc1.C(=O)(C)C.C(=O)(C)C
• Title of publication: Phosphine derivatives of ciprofloxacin and norfloxacin, a new class of potential therapeutic agents
• Authors of publication: Bykowska, Aleksandra; Starosta, Radosław; Komarnicka, Urszula K.; Ciunik, Zbigniew; Kyzioł, Agnieszka; Guz-Regner, Katarzyna; Bugla-Płoskońska, Gabriela; Jeżowska-Bojczuk, Małgorzata
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 3
• Pages of publication: 1062
• a: 8.65 ± 0.002 Å
• b: 12.44 ± 0.002 Å
• c: 16.14 ± 0.003 Å
• α: 105.39 ± 0.02°
• β: 90.16 ± 0.02°
• γ: 94.95 ± 0.02°
• Cell volume: 1667.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.2339
• Weighted residual factors for all reflections included in the refinement: 0.2435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No