Information card for entry 7105150

Structure parameters

• Formula: C21 H26 Cl N O4
• Calculated formula: C21 H26 Cl N O4
• 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: 14.9657 ± 0.0013 Å
• b: 12.7574 ± 0.0011 Å
• c: 10.6945 ± 0.0009 Å
• α: 90°
• β: 90.813 ± 0.002°
• γ: 90°
• Cell volume: 2041.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0901
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.233
• Weighted residual factors for all reflections included in the refinement: 0.2511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No