Information card for entry 7154634

Structure parameters

• Formula: C27 H30 Cl3 O5 P S2
• Calculated formula: C27 H30 Cl3 O5 P S2
• Title of publication: A versatile and efficient synthesis of bithiophene-based dicarboxaldehydes from a common synthon.
• Authors of publication: Bhuwalka, Achala; Mike, Jared F.; Intemann, Jeremy J.; Ellern, Arkady; Jeffries-El, Malika
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 36
• Pages of publication: 9462 - 9470
• a: 11.34 ± 0.014 Å
• b: 16.33 ± 0.02 Å
• c: 16.93 ± 0.02 Å
• α: 90°
• β: 99.38 ± 0.02°
• γ: 90°
• Cell volume: 3093 ± 7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0791
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No