Information card for entry 7032516

Structure parameters

• Formula: C39 H46 N2
• Calculated formula: C39 H46 N2
• Title of publication: Catalytic hydroacetylenation of carbodiimides with homoleptic alkaline earth hexamethyldisilazides.
• Authors of publication: Arrowsmith, Merle; Crimmin, Mark R.; Hill, Michael S.; Lomas, Sarah L.; Heng, Myra Sae; Hitchcock, Peter B.; Kociok-Köhn, Gabriele
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 38
• Pages of publication: 14249 - 14256
• a: 22.537 ± 0.0002 Å
• b: 12.9239 ± 0.0001 Å
• c: 25.3579 ± 0.0003 Å
• α: 90°
• β: 115.478 ± 0.0004°
• γ: 90°
• Cell volume: 6667.62 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0826
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No