Information card for entry 7117124

Structure parameters

• Chemical name: 1N-Nornorrole
• Formula: C30 H8 F10 N4 O
• Calculated formula: C30 H8 F10 N4 O
• SMILES: Fc1c(F)c(F)c(F)c(F)c1c1c2cnc3c2c2n(ccc2c(c2c3[nH]cc2)c2c(F)c(F)c(F)c(F)c2F)c2nccc12.O
• Title of publication: Metal assisted cyclodimerization of doubly N-confused dipyrrins into planar aza-heptalenes
• Authors of publication: Santosh C. Gadekar; Baddigam Kiran Reddy; Venkataramanarao G. Anand
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 8342
• a: 28.021 ± 0.012 Å
• b: 11.565 ± 0.005 Å
• c: 7.319 ± 0.003 Å
• α: 90°
• β: 95.576 ± 0.01°
• γ: 90°
• Cell volume: 2360.6 ± 1.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1812
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.1859
• Weighted residual factors for all reflections included in the refinement: 0.2303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No