Information card for entry 7037141

Structure parameters

• Formula: C32 H31 N O
• Calculated formula: C32 H31 N O
• SMILES: OC1(/C(=N/c2c(cccc2C(C)C)C(C)C)c2c3c1cccc3ccc2)C(=C)c1ccccc1
• Title of publication: Addition of phenylacetylene to a magnesium complex of monoiminoacenaphtheneone (dpp-mian).
• Authors of publication: Razborov, D. A.; Lukoyanov, A. N.; Baranov, E. V.; Fedushkin, I. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 47
• Pages of publication: 20532 - 20541
• a: 9.1993 ± 0.0002 Å
• b: 18.5141 ± 0.0004 Å
• c: 14.7826 ± 0.0004 Å
• α: 90°
• β: 102.905 ± 0.003°
• γ: 90°
• Cell volume: 2454.13 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0732
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No