Information card for entry 4037285

Structure parameters

• Formula: C70 H52 N4 O
• Calculated formula: C70 H52 N4 O
• Title of publication: Zn(OTf)₂-Catalyzed Synthesis of Imidazole-Substituted Allenes.
• Authors of publication: Jana, Sourav; Dey, Amrita; Singsardar, Mukta; Bagdi, Avik K.; Hajra, Alakananda
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 19
• Pages of publication: 9489 - 9493
• a: 28.653 ± 0.006 Å
• b: 9.7201 ± 0.0019 Å
• c: 18.842 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5247.7 ± 1.9 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No