Information card for entry 7125290

Structure parameters

• Formula: C25 H27 N4 O5 P
• Calculated formula: C25 H27 N4 O5 P
• Title of publication: Selective Tsuji-Trost type C-allylation of hydrazones: a straightforward entry into 4,5-dihydropyrazoles.
• Authors of publication: El Mamouni, El Hachemia; Cattoen, Martin; Cordier, Marie; Cossy, Janine; Arseniyadis, Stellios; Ilitki, Hocine; El Kaïm, Laurent
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 100
• Pages of publication: 14490 - 14493
• a: 29.5009 ± 0.0005 Å
• b: 7.6614 ± 0.0002 Å
• c: 21.6674 ± 0.0005 Å
• α: 90°
• β: 92.924 ± 0.001°
• γ: 90°
• Cell volume: 4890.85 ± 0.19 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.097
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1934
• Weighted residual factors for all reflections included in the refinement: 0.2136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No