Information card for entry 2006264

Structure parameters

• Chemical name: Anhydride of diacetoxyboric and 1-cyclopropyl-6-fluoro-7-chloro-4-oxo-1,4- dihydroquinoline-3-carboxylic acid
• Formula: C17 H14 B Cl F N O7
• Calculated formula: C17 H14 B Cl F N O7
• SMILES: [n+]1(cc(c(c2cc(c(cc12)Cl)F)O1)C(=O)O[B-]1(OC(=O)C)OC(=O)C)C1CC1
• Title of publication: Boron Complex of a Member of the Quinolone Family
• Authors of publication: Turel, Iztok; Leban, Ivan; Bukovec, Peter; Barbo, Martin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 942 - 943
• a: 8.754 ± 0.002 Å
• b: 15.055 ± 0.003 Å
• c: 26.742 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3524.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections: 0.1395
• Weighted residual factors for significantly intense reflections: 0.1128
• Goodness-of-fit parameter for all reflections: 1.076
• Goodness-of-fit parameter for significantly intense reflections: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No