Information card for entry 7033776

Structure parameters

• Formula: C35 H57 N13
• Calculated formula: C35 H57 N13
• SMILES: N(=C(N(C)C)N(C)C)c1c(N=C(N(C)C)N(C)C)cc2c3cc(N=C(N(C)C)N(C)C)c(N=C(N(C)C)N(C)C)cc3Cc2c1.N#CC
• 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: 7.885 ± 0.0016 Å
• b: 13.54 ± 0.003 Å
• c: 18.573 ± 0.004 Å
• α: 103.13 ± 0.03°
• β: 90.59 ± 0.03°
• γ: 92.6 ± 0.03°
• Cell volume: 1928.6 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1141
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.1991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No