Information card for entry 7129131

Structure parameters

• Formula: C30 H40 N2 O2
• Calculated formula: C30 H40 N2 O2
• Title of publication: Synthesis, structural characterization, and coordination chemistry of imidazole-based alkylidene ketenes.
• Authors of publication: Feuerstein, Wolfram; Varava, Paul; Fadaei-Tirani, Farzaneh; Scopelliti, Rosario; Severin, Kay
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 87
• Pages of publication: 11509 - 11512
• a: 11.8074 ± 0.0004 Å
• b: 16.1835 ± 0.0006 Å
• c: 16.625 ± 0.0007 Å
• α: 62.421 ± 0.004°
• β: 83.645 ± 0.003°
• γ: 82.289 ± 0.003°
• Cell volume: 2786.1 ± 0.2 ų
• Cell temperature: 140 ± 0.1 K
• Ambient diffraction temperature: 140 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No