Information card for entry 1553042

Structure parameters

• Formula: C92 H98 N8
• Calculated formula: C92 H98 N8
• Title of publication: Chiroptical sensing of oligonucleotides with a cyclic octapyrrole
• Authors of publication: Ie, Machiko; Setsune, Jun-ichiro; Eda, Kazuo; Tsuda, Akihiko
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 1
• Pages of publication: 29
• a: 15.865 ± 0.004 Å
• b: 16.43 ± 0.004 Å
• c: 14.961 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3899.8 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No