Information card for entry 7064398

Structure parameters

• Formula: C34 H32 N3 Ni O3 P
• Calculated formula: C34 H32 N3 Ni O3 P
• Title of publication: Direct access to 2-amino-3-cyano-4H-pyrans/4H-chromenes by [ONO]-pincer supported nickel(ii) phosphine complexes via dehydrogenative annulation of alcohols
• Authors of publication: Kavin, Sekar Pranesh; Ramesh, Rengan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• Journal volume: 50
• Journal issue: 21
• Pages of publication: 9245 - 9251
• a: 11.9646 ± 0.001 Å
• b: 16.0861 ± 0.0012 Å
• c: 16.6355 ± 0.0015 Å
• α: 74.568 ± 0.007°
• β: 78.164 ± 0.008°
• γ: 79.707 ± 0.007°
• Cell volume: 2994.4 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.2361
• Residual factor for significantly intense reflections: 0.1453
• Weighted residual factors for significantly intense reflections: 0.3398
• Weighted residual factors for all reflections included in the refinement: 0.412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No