Information card for entry 1518778

Structure parameters

• Formula: C32 H39 Ga
• Calculated formula: C32 H39 Ga
• SMILES: [Ga]1(c2ccccc2C=Cc2c1cccc2)c1c(cc(C(C)(C)C)cc1C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis of Air- and Moisture-Stable Dibenzogallepins: Control of Planarity of Seven-Membered Rings in Solid States by Coordination to Gallium Atoms
• Authors of publication: Matsumoto, Takuya; Takamine, Hirofumi; Tanaka, Kazuo; Chujo, Yoshiki
• Journal of publication: Organic Letters
• Year of publication: 2015
• Pages of publication: 150304071945009
• a: 9.1296 ± 0.0006 Å
• b: 10.8681 ± 0.0007 Å
• c: 13.8864 ± 0.001 Å
• α: 107.26 ± 0.008°
• β: 90.512 ± 0.006°
• γ: 92.334 ± 0.007°
• Cell volume: 1314.37 ± 0.16 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 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: 0.0699
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No