Information card for entry 7033778

Structure parameters

• Formula: C22 H34 N8 O2
• Calculated formula: C22 H34 N8 O2
• SMILES: N(=C(N(C)C)N(C)C)c1cc2nc3ccccc3nc2cc1N=C(N(C)C)N(C)C.O.O
• Title of publication: Tetraguanidino-functionalized phenazine and fluorene dyes: synthesis, optical properties and metal coordination.
• Authors of publication: Bindewald, Elvira; Lorenz, Roxana; Hübner, Olaf; Brox, Dominik; Herten, Dirk-Peter; Kaifer, Elisabeth; Himmel, Hans-Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 7
• Pages of publication: 3467 - 3485
• a: 15.9 ± 0.003 Å
• b: 9.21 ± 0.0018 Å
• c: 16.379 ± 0.003 Å
• α: 90°
• β: 94.82 ± 0.03°
• γ: 90°
• Cell volume: 2390 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.2642
• Weighted residual factors for all reflections included in the refinement: 0.2687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No