Information card for entry 1545881

Structure parameters

• Formula: C24 H14 Co2 O6
• Calculated formula: C24 H14 Co2 O6
• SMILES: [Co]12([C]3([Co]1([C]2=3C(=C)c1ccccc1)(C#[O])(C#[O])C#[O])C(=C)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis of Ene-yne-enes by Nickel-Catalyzed Double SN2’ substitution of 1,6-Dichlorohexa-2,4-diyne
• Authors of publication: Wang, Gongbao; Lindeboom, Erik-Jan; Heerewaarden, Chris van; Minnaard, Adriaan J.
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2017
• a: 8.4376 ± 0.0011 Å
• b: 10.1022 ± 0.0012 Å
• c: 13.0614 ± 0.0015 Å
• α: 98.593 ± 0.004°
• β: 92.973 ± 0.004°
• γ: 100.142 ± 0.004°
• Cell volume: 1080.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.019
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No