Information card for entry 7151133

Structure parameters

• Formula: C29 H40 N6 O6 P2
• Calculated formula: C29 H40 N6 O6 P2
• Title of publication: Synthesis of functionalized bisphosphonates via click chemistry.
• Authors of publication: Skarpos, Hanna; Osipov, Sergey N.; Vorob'eva, Daria V.; Odinets, Irina L.; Lork, Enno; Röschenthaler, Gerd-Volker
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 15
• Pages of publication: 2361 - 2367
• a: 8.615 ± 0.006 Å
• b: 12.829 ± 0.004 Å
• c: 14.996 ± 0.005 Å
• α: 88.06 ± 0.03°
• β: 78.28 ± 0.04°
• γ: 75.7 ± 0.04°
• Cell volume: 1572.3 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1135
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1681
• Weighted residual factors for all reflections included in the refinement: 0.194
• 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: Yes
• Has Fobs: No