Information card for entry 2201997

Structure parameters

• Chemical name: (S)-2,2'-Bis(4-nitro-2-pyridyloxy)-1,1'-binaphthalene
• Formula: C30 H18 N4 O6
• Calculated formula: C30 H18 N4 O6
• SMILES: n1c(Oc2c(c3ccccc3cc2)c2c(Oc3ncc(N(=O)=O)cc3)ccc3ccccc23)ccc(N(=O)=O)c1
• Title of publication: (<i>S</i>)-2,2'-Bis(4-nitro-2-pyridyloxy)-1,1'-binaphthalene
• Authors of publication: Wang, Ruihu; Xu, Lijin; Chen, Gang; Zhou, Zhongyuan; Hong, Maochun; Cao, Rong; Chan, Albert S. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o865 - o867
• a: 7.4573 ± 0.0014 Å
• b: 7.9472 ± 0.0015 Å
• c: 11.748 ± 0.002 Å
• α: 96.859 ± 0.003°
• β: 104.061 ± 0.004°
• γ: 108.599 ± 0.003°
• Cell volume: 625.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes