Information card for entry 4073433

Structure parameters

• Formula: C15 H28 N2 O
• Calculated formula: C15 H30 N2 O
• Title of publication: Migratory Insertion of an Isocyanide into 1-Zirconacyclopent-3-ynes
• Authors of publication: Bach, Marc A.; Beweries, Torsten; Burlakov, Vladimir V.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 18
• Pages of publication: 4592
• a: 15.816 ± 0.003 Å
• b: 10.573 ± 0.002 Å
• c: 10.12 ± 0.002 Å
• α: 90°
• β: 109.7 ± 0.03°
• γ: 90°
• Cell volume: 1593.2 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No