Information card for entry 7150211

Structure parameters

• Formula: C20 H22 N2 O5
• Calculated formula: C20 H22 N2 O5
• SMILES: n1c2c3OCCOCCOCCOCCOc4cccc1c4nc2ccc3
• 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: 14.5548 ± 0.0002 Å
• b: 7.2083 ± 0.0001 Å
• c: 17.2662 ± 0.0004 Å
• α: 90°
• β: 103.938 ± 0.001°
• γ: 90°
• Cell volume: 1758.15 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No