Information card for entry 2209736

Structure parameters

• Chemical name: 3-phenyl-2-(2,4,5-tricyanophenylmethyl)-1H-indene
• Formula: C25 H15 N3
• Calculated formula: C25 H15 N3
• SMILES: N#Cc1c(CC2=C(c3ccccc3C2)c2ccccc2)cc(c(c1)C#N)C#N
• Title of publication: 3-Phenyl-2-(2,4,5-tricyanophenylmethyl)-1<i>H</i>-indene
• Authors of publication: Jie-Qiong Huang; Zhi-Feng Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3403 - o3404
• a: 7.719 ± 0.0015 Å
• b: 10.155 ± 0.002 Å
• c: 24.316 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1906 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes