Information card for entry 2008298

Structure parameters

• Formula: C24 H16 N2 O8
• Calculated formula: C24 H16 N2 O8
• SMILES: O(c1ccc2cc(N(=O)=O)ccc2c1c1c2ccc(N(=O)=O)cc2ccc1OC(=O)C)C(=O)C
• Title of publication: (±)-6,6'-Dinitro-1,1'-binaphthyl 2,2'-diacetate
• Authors of publication: Meetsma, Auke; Keller, Erik; Feringa, Ben L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 450 - 452
• a: 7.506 ± 0.001 Å
• b: 29.143 ± 0.002 Å
• c: 9.832 ± 0.001 Å
• α: 90°
• β: 99.04 ± 0.01°
• γ: 90°
• Cell volume: 2124 ± 0.4 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No