Information card for entry 7150212

Structure parameters

• Formula: C22 H26 N2 O2
• Calculated formula: C22 H26 N2 O2
• SMILES: O1c2cccc3nc4c(nc23)cccc4OCCCCCCCCCC1
• Title of publication: Synthesis of phenazine derivatives for use as precursors to electrochemically generated bases.
• Authors of publication: Mateo Alonso, A.; Horcajada, Roberto; Groombridge, Helen J.; Chudasama Née Mandalia, Reshma; Motevalli, Majid; Utley, James H. P.; Wyatt, Peter B.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 15
• Pages of publication: 2832 - 2841
• a: 21.854 ± 0.012 Å
• b: 10.992 ± 0.005 Å
• c: 7.77 ± 0.01 Å
• α: 90°
• β: 90.01 ± 0.07°
• γ: 90°
• Cell volume: 1867 ± 3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1357
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No