Information card for entry 1506445

Structure parameters

• Common name: 19_in_paper?
• Formula: C24 H40 Br4 O2
• Calculated formula: C24 H40 Br4 O2
• SMILES: Br[C@@H]1C(CCCC([C@@H](Br)C(=O)[C@@H](Br)C(CCCC([C@H](Br)C1=O)(C)C)(C)C)(C)C)(C)C
• Title of publication: Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity.
• Authors of publication: Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 917 - 920
• a: 10.5953 ± 0.0006 Å
• b: 11.4554 ± 0.0006 Å
• c: 11.5796 ± 0.0007 Å
• α: 90°
• β: 108.903 ± 0.001°
• γ: 90°
• Cell volume: 1329.66 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0266
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No