Information card for entry 4064524

Structure parameters

• Formula: C25 H20 Mn N3 O3
• Calculated formula: C25 H20 Mn N3 O3
• SMILES: [Mn]1234(C#[O])(C#[O])([cH]5[c]1(C1N(CC)C(=NN=C1c1ccccc1)c1ccccc1)[cH]3[cH]2[cH]45)C#[O]
• Title of publication: New Approach to the Synthesis of Azinylcymantrenes
• Authors of publication: Utepova, Irina A.; Musikhina, Alexandra A.; Chupakhin, Oleg N.; Slepukhin, Pavel A.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 11
• Pages of publication: 3047
• a: 17.274 ± 0.0013 Å
• b: 10.3238 ± 0.0008 Å
• c: 12.4326 ± 0.0006 Å
• α: 90°
• β: 101.833 ± 0.005°
• γ: 90°
• Cell volume: 2170 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.062
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No