Information card for entry 4022826

Structure parameters

• Formula: C26 H30 O5
• Calculated formula: C26 H30 O5
• SMILES: O1[C@H]2c3ccccc3[C@@H]1[C@@]13[C@H](C2)C2=C(O[C@@]3(O)CC(CC1=O)(C)C)CC(CC2=O)(C)C.O1[C@@H]2c3ccccc3[C@H]1[C@]13[C@@H](C2)C2=C(O[C@]3(O)CC(CC1=O)(C)C)CC(CC2=O)(C)C
• Title of publication: Unusual Manganese(III)-Mediated Oxidative Free Radical Additions of 1,3-Dicarbonyl Compounds to Benzonorbornadiene and 7-Heterobenzonorbornadienes: Mechanistic Studies
• Authors of publication: Raşit Çalişkan; Mohamed Fadelalla Ali; Ertan Şahin; William H. Watson; Metin Balci
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 3353 - 3359
• a: 17.156 ± 0.003 Å
• b: 11.5476 ± 0.0018 Å
• c: 22.209 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4400 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No