Information card for entry 7060780

Structure parameters

• Formula: C28 H47 Cl2 F6 N4 P
• Calculated formula: C28 H47 Cl2 F6 N4 P
• Title of publication: Reactivity of 1,3-dichloro-1,3-bis(dimethylamino)-propenium salts with primary amines
• Authors of publication: Land, Michael A.; Robertson, Katherine N.; Ylijoki, Kai E. O.; Clyburne, Jason A. C.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 30
• Pages of publication: 13558 - 13570
• a: 11.1649 ± 0.0014 Å
• b: 11.6494 ± 0.0014 Å
• c: 13.3995 ± 0.0016 Å
• α: 95.442 ± 0.002°
• β: 100.844 ± 0.002°
• γ: 111.648 ± 0.001°
• Cell volume: 1565 ± 0.3 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.0699
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No