Information card for entry 4115291

Structure parameters

• Formula: C31.5 H24 Br Cl F N3 O6
• Calculated formula: C31.5 H24 Br Cl F N3 O6
• Title of publication: Skeletal Diversity via a Branched Pathway: Efficient Synthesis of 29400 Discrete, Polycyclic Compounds and Their Arraying into Stock Solutions
• Authors of publication: Ohyun Kwon; Seung Bum Park; Stuart L. Schreiber
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 13402 - 13404
• a: 8.7883 ± 0.0011 Å
• b: 10.7793 ± 0.0015 Å
• c: 16.657 ± 0.002 Å
• α: 89.879 ± 0.002°
• β: 81.922 ± 0.003°
• γ: 66.124 ± 0.002°
• Cell volume: 1426 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0991
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No