Information card for entry 7110864

Structure parameters

• Formula: C28 H62.5 Cl4 N2 O10.25 P4
• Calculated formula: C28 H62 Cl4 N2 O10.25 P4
• Title of publication: Bisphosphonate prodrugs: unusual dimerisation of clodronic acid trimethyl ester to a cyclic bis(bisphosphonate)
• Authors of publication: Ahlmark, Marko J.; Vepsäläinen, Jouko J.; Ahlgrén, Markku; Niemi, Riku; Taipale, Hannu; Järvinen, Tomi
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 8
• Pages of publication: 711
• a: 11.3054 ± 0.0004 Å
• b: 11.5193 ± 0.0004 Å
• c: 17.8036 ± 0.0007 Å
• α: 101.135 ± 0.002°
• β: 92.151 ± 0.002°
• γ: 113.594 ± 0.002°
• Cell volume: 2067.68 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0538
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No