Information card for entry 7033775

Structure parameters

• Formula: C32 H52 N14
• Calculated formula: C32 H52 N14
• SMILES: c1(cc2c(cc1N=C(N(C)C)N(C)C)nc1cc(c(cc1n2)N=C(N(C)C)N(C)C)N=C(N(C)C)N(C)C)N=C(N(C)C)N(C)C
• 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: 7.747 ± 0.0015 Å
• b: 15.44 ± 0.003 Å
• c: 15.074 ± 0.003 Å
• α: 90°
• β: 96.68 ± 0.03°
• γ: 90°
• Cell volume: 1790.8 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• 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: 0.0827
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No