Information card for entry 7035393

Structure parameters

• Formula: C25 H26 N4
• Calculated formula: C25 H26 N4
• SMILES: n1c(C2NCC(CN2Cc2nc3c(cc2)cccc3)(C)C)ccc2c1cccc2
• Title of publication: Stereoelectronic control of photophysics: red and yellow axial and equatorial anomers of a rhenium-quinoline complex.
• Authors of publication: Platel, Rachel H.; Coogan, Michael P.; Platts, James A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 26
• Pages of publication: 11700 - 11704
• a: 16.3443 ± 0.0011 Å
• b: 5.949 ± 0.0004 Å
• c: 21.3716 ± 0.0015 Å
• α: 90°
• β: 106.773 ± 0.003°
• γ: 90°
• Cell volume: 1989.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No