Information card for entry 4025787

Structure parameters

• Chemical name: 1,5-Bis-(2,2'-dibromocyclopropyl)-2,4-divinylnenzene
• Formula: C16 H14 Br4
• Calculated formula: C16 H14 Br4
• SMILES: BrC1(Br)[C@@H](c2cc(c(cc2C=C)C=C)[C@H]2CC2(Br)Br)C1.BrC1(Br)[C@H](c2cc(c(cc2C=C)C=C)[C@@H]2CC2(Br)Br)C1
• Title of publication: Efforts toward Distorted Spiropentanes
• Authors of publication: Kuan-Jen Su; Jean-Luc Mieusset; Vladimir B. Arion; Wolfgang Knoll; Lothar Brecker; Udo H. Brinker
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 7494 - 7497
• a: 6.5274 ± 0.0006 Å
• b: 14.3878 ± 0.0015 Å
• c: 18.4199 ± 0.0019 Å
• α: 83.73 ± 0.005°
• β: 85.515 ± 0.005°
• γ: 87.424 ± 0.005°
• Cell volume: 1713.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1469
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No