Information card for entry 7023228

Structure parameters

• Formula: C39 H45 N2
• Calculated formula: C39 H45 N2
• SMILES: N(C(=C/C(=N/c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1ccccc1)\c1c(cccc1C(C)C)C(C)C
• Title of publication: Beryllium derivatives of a phenyl-substituted β-diketiminate: a well-defined ring opening reaction of tetrahydrofuran.
• Authors of publication: Arrowsmith, Merle; Crimmin, Mark R.; Hill, Michael S.; Kociok-Köhn, Gabriele
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 26
• Pages of publication: 9720 - 9726
• a: 13.1744 ± 0.0002 Å
• b: 15.6545 ± 0.0004 Å
• c: 16.8459 ± 0.0004 Å
• α: 90°
• β: 110.355 ± 0.001°
• γ: 90°
• Cell volume: 3257.33 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1224
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1621
• Weighted residual factors for all reflections included in the refinement: 0.1924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No