Information card for entry 7717328

Structure parameters

• Chemical name: NV-515
• Formula: C27 H23 Cl2 F2 O2 P
• Calculated formula: C27 H23 Cl2 F2 O2 P
• Title of publication: Oxaphosphiranes: isolable phosphorus-containing epoxide rings.
• Authors of publication: Volk, Niklas; García Alcaraz, Antonio; Balasubramaniam, Selvakumar; Heumann, Jannik; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 48
• Pages of publication: 19351 - 19359
• a: 9.9779 ± 0.0006 Å
• b: 10.583 ± 0.0006 Å
• c: 12.6438 ± 0.0007 Å
• α: 109.434 ± 0.004°
• β: 102.726 ± 0.005°
• γ: 98.471 ± 0.005°
• Cell volume: 1192.3 ± 0.13 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0633
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 0.865
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No