Information card for entry 7104183

Structure parameters

• Formula: C27 H27 N
• Calculated formula: C27 H27 N
• SMILES: N12c3c4cccc3C(c3cccc(c13)C(c1cccc(c21)C4(C)C)(C)C)(C)C
• Title of publication: Bridged triphenylamine based molecules with large two-photon absorption cross sections in organic and aqueous media.
• Authors of publication: Fang, Zhen; Zhang, Xinhai; Hing Lai, Yee; Liu, Bin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 920 - 922
• a: 9.816 ± 0.0005 Å
• b: 18.6778 ± 0.0009 Å
• c: 21.7184 ± 0.001 Å
• α: 90°
• β: 90.068 ± 0.001°
• γ: 90°
• Cell volume: 3981.9 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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: 0.1472
• Residual factor for significantly intense reflections: 0.1234
• Weighted residual factors for significantly intense reflections: 0.2945
• Weighted residual factors for all reflections included in the refinement: 0.3063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No