Information card for entry 7160565

Structure parameters

• Formula: C9 H8 Cl2 O
• Calculated formula: C9 H8 Cl2 O
• Title of publication: Substituted cyclopropanols <i>via</i> sequential cyclopropanation and oxidative hydrolysis of vinylboronates.
• Authors of publication: Shuvakin, Serhii I.; Serhieiev, Oleksii M.; Dashko, Maksym O.; Pendiukh, Viacheslav V.; Ivonin, Sergey P.; Shishkina, Svitlana V.; Rozhenko, Alexander B.; Pashenko, Olexandr Ye; Volochnyuk, Dmytro M.; Ryabukhin, Serhiy V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 26
• Pages of publication: 6343 - 6348
• a: 31.0324 ± 0.0014 Å
• b: 31.0324 ± 0.0014 Å
• c: 7.7109 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7425.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1393
• Residual factor for significantly intense reflections: 0.093
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No