Information card for entry 4025784

Structure parameters

• Chemical name: 1,2-Bis-(2,2-dibromocyclopropyl)-4,5-divinylbenzene
• Formula: C16 H14 Br4
• Calculated formula: C16 H14 Br4
• SMILES: C1([C@H](C1)c1cc(C=C)c(cc1[C@@H]1C(C1)(Br)Br)C=C)(Br)Br.C1([C@@H](C1)c1cc(C=C)c(cc1[C@H]1C(C1)(Br)Br)C=C)(Br)Br
• 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: 14.6578 ± 0.0006 Å
• b: 11.0691 ± 0.0006 Å
• c: 10.8691 ± 0.0004 Å
• α: 90°
• β: 100.521 ± 0.003°
• γ: 90°
• Cell volume: 1733.85 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0552
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No