Information card for entry 7105149

Structure parameters

• Formula: C18 H17 N O
• Calculated formula: C18 H17 N O
• SMILES: O=C1N2C(c3c(c4c1cccc4)cc(cc3)C)CCC2
• Title of publication: A facile synthesis of dibenzopyrroloazepinones as tetracyclic allocolchicinoids‒an unusual 1,2-phenyl shift.
• Authors of publication: Wu, Liang; Aliev, Abil E; Caddick, Stephen; Fitzmaurice, Richard J; Tocher, Derek A; King, Frank D
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 46
• Journal issue: 2
• Pages of publication: 318 - 320
• a: 18.68 ± 0.002 Å
• b: 7.2722 ± 0.0008 Å
• c: 19.09 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2593.3 ± 0.5 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: 0.0778
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1224
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No