Information card for entry 1506932

Structure parameters

• Formula: C24 H17 N O3
• Calculated formula: C24 H17 N O3
• SMILES: O1c2c3ccccc3c3ccccc3c2O[C@@H]2O[C@]1(N=C2c1ccccc1)C.O1c2c3ccccc3c3ccccc3c2O[C@H]2O[C@@]1(N=C2c1ccccc1)C
• Title of publication: Photoinduced [4 + 4] cycloadditions of o-quinones with oxazoles.
• Authors of publication: Zhang, Yan; Wang, Lei; Zhang, Min; Fun, Hoong-Kun; Xu, Jian-Hua
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 26
• Pages of publication: 4893 - 4895
• a: 10.5543 ± 0.0001 Å
• b: 12.653 ± 0.0004 Å
• c: 13.6927 ± 0.0003 Å
• α: 90°
• β: 103.879 ± 0.001°
• γ: 90°
• Cell volume: 1775.19 ± 0.07 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• 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: 0.1468
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 0.792
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No