Information card for entry 4038928

Structure parameters

• Formula: C29 H35 Cl2 N3 O4
• Calculated formula: C29 H35 Cl2 N3 O4
• Title of publication: Influence of the Linking Bridge on the Photoreactivity of Benzophenone-Thymine Conjugates.
• Authors of publication: Blasco-Brusola, Alejandro; Vayá, Ignacio; Miranda, Miguel A.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 9.4467 ± 0.0002 Å
• b: 28.7768 ± 0.0006 Å
• c: 10.3242 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2806.59 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No