Information card for entry 7203225

Structure parameters

• Common name: 1,2-bis-(3-Fluorophenyl)-6-methoxy-1,2,3,4- tetrahydroisoquinoline
• Formula: C22 H18 F2 N O
• Calculated formula: C22 H17 F2 N O
• Title of publication: Organic fluorine as crystal engineering tool: Evidence from packing features in fluorine substituted isoquinolines
• Authors of publication: Choudhury, Angshuman Roy; Row, Tayur N. Guru
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 3
• Pages of publication: 265
• a: 16.628 ± 0.006 Å
• b: 45.589 ± 0.012 Å
• c: 9.044 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6856 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No