Information card for entry 7103756

Structure parameters

• Formula: C23 H18 N2 O2
• Calculated formula: C23 H18 N2 O2
• SMILES: O=Cc1[nH]c(cc1)C(c1[nH]c(cc1)C=O)(c1ccccc1)c1ccccc1
• Title of publication: The syntheses and structures of Group 1 expanded dipyrrolides: the formation of a 12-rung amidolithium circular ladder
• Authors of publication: Jason Love; Alexander J. Blake; Peter B. Hitchcock; Andrew Novak; Stuart D. Reid; Claire Wilson
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• a: 28.294 ± 0.002 Å
• b: 9.1628 ± 0.0008 Å
• c: 29.053 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7532.1 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No