Information card for entry 1505909

Structure parameters

• Formula: C22 H14 N4
• Calculated formula: C22 H14 N4
• SMILES: n1ccc2cc3c(cc2c1c1ncccc1)c(ncc3)c1ncccc1
• Title of publication: Photodimerizable ditopic ligand.
• Authors of publication: Jouvenot, Damien; Glazer, Edith C.; Tor, Yitzhak
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 1987 - 1990
• a: 23.964 ± 0.009 Å
• b: 6.054 ± 0.002 Å
• c: 11.16 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1619.1 ± 1 ų
• Cell temperature: 218 ± 2 K
• Ambient diffraction temperature: 218 ± 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: 0.0425
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No