Information card for entry 7150121

Structure parameters

• Formula: C38 H26.5 N1.5 O
• Calculated formula: C38 H26.5 N1.5 O
• Title of publication: Structural manifestations of the cheletropic reaction.
• Authors of publication: Wooi, Goh Yit; White, Jonathan M.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 6
• Pages of publication: 972 - 974
• a: 20.7668 ± 0.0018 Å
• b: 10.7728 ± 0.0008 Å
• c: 25.164 ± 0.0018 Å
• α: 90°
• β: 104.376 ± 0.002°
• γ: 90°
• Cell volume: 5453.3 ± 0.7 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No