Information card for entry 1573371

Structure parameters

• Formula: C79 H111 Ga2 N6 O P2
• Calculated formula: C79 H111 Ga2 N6 O P2
• Title of publication: Synthesis and reactivity of a six-membered heterocyclic 1,3-diphosphaallene.
• Authors of publication: Sharma, Mahendra K.; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 3
• Pages of publication: 1189 - 1196
• a: 20.731 ± 0.0004 Å
• b: 18.24 ± 0.0004 Å
• c: 39.5206 ± 0.0007 Å
• α: 90°
• β: 95.9543 ± 0.0013°
• γ: 90°
• Cell volume: 14863.4 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No