Information card for entry 4025786

Structure parameters

• Chemical name: 1,2,4,5-Tetrakis-(2,2-dibromocyclopropyl)-benzene dichloromethane solvate
• Formula: C19 H16 Br8 Cl2
• Calculated formula: C19 H16 Br8 Cl2
• 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: 10.6247 ± 0.0005 Å
• b: 20.013 ± 0.0009 Å
• c: 12.1491 ± 0.0004 Å
• α: 90°
• β: 105.572 ± 0.002°
• γ: 90°
• Cell volume: 2488.47 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1117
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No