Information card for entry 7234193

Structure parameters

• Formula: C36 H50 N12
• Calculated formula: C36 H50 N12
• SMILES: CN(C)n1cccc1c1ccc(c2ccc(c3ccc(c4ccc(c5cccn5N(C)C)n4N(C)C)n3N(C)C)n2N(C)C)n1N(C)C
• Title of publication: Synthesis, characterization, and physical properties of oligo(1-(N,N-dimethylamino)pyrrole)s and their doped forms, precursors of candidates for molecular flat-band ferromagnets
• Authors of publication: Yoshinori Yamanoi; Kazuhiro Takahashi; Takeshi Hamada; Norikazu Ohshima; Masashi Kurashina; Yohei Hattori; Tetsuro Kusamoto; Ryota Sakamoto; Mariko Miyachi; Hiroshi Nishihara
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 4316 - 4320
• a: 7.659 ± 0.005 Å
• b: 13.191 ± 0.005 Å
• c: 18.976 ± 0.005 Å
• α: 77.128 ± 0.005°
• β: 83.248 ± 0.005°
• γ: 79.8 ± 0.005°
• Cell volume: 1833.3 ± 1.5 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 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: 0.1188
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.2028
• Weighted residual factors for all reflections included in the refinement: 0.2305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No