Information card for entry 4130557

Structure parameters

• Formula: C23 H21 Cl N2 O
• Calculated formula: C23 H21 Cl N2 O
• Title of publication: Real-Time Biological Annotation of Synthetic Compounds.
• Authors of publication: Gerry, Christopher J.; Hua, Bruce K.; Wawer, Mathias J.; Knowles, Jonathan P.; Nelson, Jr, Shawn D; Verho, Oscar; Dandapani, Sivaraman; Wagner, Bridget K.; Clemons, Paul A.; Booker-Milburn, Kevin I; Boskovic, Zarko V.; Schreiber, Stuart L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 28
• Pages of publication: 8920 - 8927
• a: 9.4441 ± 0.0017 Å
• b: 9.3924 ± 0.0018 Å
• c: 44.328 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3932 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0803
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No