Information card for entry 7116100

Structure parameters

• Formula: C33 H46 Ga N
• Calculated formula: C33 H46 Ga N
• SMILES: [Ga]1([N](Cc2c1c(C(C)(C)C)cc(c2)C(C)(C)C)(C)C)(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C
• Title of publication: Synthesis of conjugated polymers containing gallium atoms and evaluation of conjugation through four-coordinate gallium atoms
• Authors of publication: Takuya Matsumoto; Yoshinobu Onishi; Kazuo Tanaka; Hiroyuki Fueno; Kazuyoshi Tanaka; Yoshiki Chujo
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 15740
• a: 8.0037 ± 0.0011 Å
• b: 42.296 ± 0.005 Å
• c: 9.1578 ± 0.0011 Å
• α: 90°
• β: 98.422 ± 0.007°
• γ: 90°
• Cell volume: 3066.7 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• 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: 0.1106
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No