Information card for entry 7114285

Structure parameters

• Common name: Compound 4
• Formula: C26 H40 N2 O6
• Calculated formula: C26 H40 N2 O6
• Title of publication: Unprecedented zwitterion in quinonoid chemistryElectronic supplementary information (ESI) available: spectroscopic data for 4 and 6 and an ORTEP view of the structure of 4. See http://www.rsc.org/suppdata/cc/b1/b107828n/.
• Authors of publication: Siri, Olivier; Braunstein, Pierre
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 3
• Pages of publication: 208
• a: 10.3719 ± 0.0006 Å
• b: 11.2034 ± 0.0006 Å
• c: 13.8449 ± 0.0008 Å
• α: 103.748 ± 0.005°
• β: 103.919 ± 0.005°
• γ: 112.113 ± 0.005°
• Cell volume: 1346.89 ± 0.17 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.191
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections: 0.405
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections: 6.816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No