Information card for entry 4114639

Structure parameters

• Formula: C16 H40 Br4 Li4 O4
• Calculated formula: C16 H40 Br4 Li4 O4
• SMILES: [Br]12[Li]3([Br]4[Li]1([O](CC)CC)[Br]1[Li]4([Br]3[Li]21[O](CC)CC)[O](CC)CC)[O](CC)CC
• Title of publication: Diversity-Oriented Synthesis of Biaryl-Containing Medium Rings Using a One Bead/One Stock Solution Platform
• Authors of publication: David R. Spring; Shyam Krishnan; Helen E. Blackwell; Stuart L. Schreiber
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 1354 - 1363
• a: 17.8106 ± 0.0017 Å
• b: 11.6626 ± 0.0012 Å
• c: 15.5911 ± 0.0015 Å
• α: 90°
• β: 111.956 ± 0.002°
• γ: 90°
• Cell volume: 3003.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0912
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No