Information card for entry 7022266

Structure parameters

• Formula: C24 H34 Mg N2 O
• Calculated formula: C24 H34 Mg N2 O
• SMILES: [Mg]1(Oc2c3c(cc4ccccc24)cccc3)([N](C)(C)CC[N]1(C)C)CCCC
• Title of publication: Structural elucidation of homometallic anthracenolates synthesised via deprotonative metallation of anthrone.
• Authors of publication: Clegg, William; Fleming, Ben J.; García-Álvarez, Pablo; Hogg, Lorna M.; Kennedy, Alan R.; Klett, Jan; Martínez-Martínez, Antonio J; Mulvey, Robert E.; Russo, Luca; O'Hara, Charles T
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 2512 - 2519
• a: 14.6935 ± 0.0008 Å
• b: 12.3086 ± 0.0006 Å
• c: 12.5596 ± 0.0005 Å
• α: 90°
• β: 100.338 ± 0.004°
• γ: 90°
• Cell volume: 2234.61 ± 0.19 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0733
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1823
• Weighted residual factors for all reflections included in the refinement: 0.1878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No