Information card for entry 7716183

Structure parameters

• Formula: C33 H30 N2
• Calculated formula: C33 H30 N2
• Title of publication: Zinc amidinate-catalysed cyclization reaction of carbodiimides and alkynes. An insight into the mechanism.
• Authors of publication: Parra-Cadenas, Blanca; Ginés, Carlos; García-Vivó, Daniel; Elorriaga, David; Carrillo-Hermosilla, Fernando
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 24
• Pages of publication: 10050 - 10054
• a: 12.3909 ± 0.0002 Å
• b: 15.7998 ± 0.0003 Å
• c: 13.9004 ± 0.0002 Å
• α: 90°
• β: 99.625 ± 0.002°
• γ: 90°
• Cell volume: 2683.03 ± 0.08 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No