Information card for entry 1573369

Structure parameters

• Formula: C72 H108 Ga2 N6 O P2
• Calculated formula: C72 H108 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: 26.3977 ± 0.0009 Å
• b: 13.4903 ± 0.0005 Å
• c: 40.1349 ± 0.0013 Å
• α: 90°
• β: 91.7723 ± 0.0015°
• γ: 90°
• Cell volume: 14285.7 ± 0.9 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: 0.0568
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No