Information card for entry 1504632

Structure parameters

• Formula: C23 H16 Cl2 O
• Calculated formula: C23 H16 Cl2 O
• SMILES: Cl[C@@H]1[C@H]2[C@]3(O[C@@](c4c3cccc4)(c3ccccc3)[C@@]12Cl)c1ccccc1.Cl[C@H]1[C@@H]2[C@@]3(O[C@](c4c3cccc4)(c3ccccc3)[C@]12Cl)c1ccccc1
• Title of publication: The general synthesis and trapping of 3-substituted 1-chlorocyclopropenes.
• Authors of publication: Lee, Gon-Ann; Chen, Ko Chou
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 1843 - 1845
• a: 8.1975 ± 0.0002 Å
• b: 16.851 ± 0.0005 Å
• c: 26.2443 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3625.28 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.1614
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1713
• Weighted residual factors for all reflections included in the refinement: 0.2159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No