Information card for entry 1506451

Structure parameters

• Common name: 23alpha_in_paper
• Formula: C7 H11 Cl2 I S3
• Calculated formula: C7 H10.608 Cl1.998 I S3
• 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: 17.2213 ± 0.0007 Å
• b: 7.005 ± 0.0003 Å
• c: 11.4894 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1386.03 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.0649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No