Information card for entry 1513748

Structure parameters

• Formula: C27 H24 O4
• Calculated formula: C27 H24 O4
• SMILES: O=C1O[C@@H](C)C[C@H](OC(=O)[C@]23[C@]41[C@H]1c5ccccc5[C@H]5[C@@H]4[C@@H]3[C@H]5c3c([C@@H]21)cccc3)C
• Title of publication: Synthesis of diastereometrically pure cubane-like photodimers from 2,4-pentanediyl-bis-2-naphthoates.
• Authors of publication: Cheng, Su-Fang; Chen, Bin; Yang, Xiu-Jie; Luo, Lin; Zhang, Li-Ping; Wu, Li-Zhu; Tung, Chen-Ho
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2014
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 261 - 265
• a: 13.9039 ± 0.0012 Å
• b: 8.8277 ± 0.0008 Å
• c: 16.789 ± 0.0016 Å
• α: 90°
• β: 93.294 ± 0.006°
• γ: 90°
• Cell volume: 2057.3 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No