Information card for entry 7102467

Structure parameters

• Formula: C29 H31 N2 O7
• Calculated formula: C29 H31 N2 O7
• SMILES: N1(C(=O)[C@H](OC)c2ccccc2)c2c3OCCOCCOCCOCCOc4c([N]c2ccc3)c1ccc4
• Title of publication: Generation of strong, homochiral bases by electrochemical reduction of phenazine derivatives.
• Authors of publication: Alonso, A Mateo; Horcajada, Roberto; Groombridge, Helen J; Mandalia, Reshma; Motevalli, Majid; Utley, James H P; Wyatt, Peter B
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 4
• Pages of publication: 412 - 413
• a: 8.429 ± 0.007 Å
• b: 15.65 ± 0.014 Å
• c: 9.98 ± 0.009 Å
• α: 90°
• β: 105.4 ± 0.07°
• γ: 90°
• Cell volume: 1269.2 ± 1.9 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No