Information card for entry 2200880

Structure parameters

• Chemical name: 1-(3,4,6-tricyanophenyl)-4-phenyl-1,2,3,4-tetrahydronaphthalene
• Formula: C25 H17 N3
• Calculated formula: C25 H17 N3
• SMILES: N#Cc1c([C@H]2CC[C@@H](c3ccccc23)c2ccccc2)cc(c(c1)C#N)C#N.N#Cc1c([C@@H]2CC[C@H](c3ccccc23)c2ccccc2)cc(c(c1)C#N)C#N
• Title of publication: 4-Phenyl-1-(2,4,5-tricyanophenyl)-1,2,3,4-tetrahydronaphthalene
• Authors of publication: Yan Zhang; Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: o132 - o133
• a: 22.2686 ± 0.0003 Å
• b: 9.2463 ± 0.0002 Å
• c: 9.1349 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1880.9 ± 0.06 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes