Information card for entry 4029052

Structure parameters

• Formula: C28 H22 O2
• Calculated formula: C28 H22 O2
• SMILES: O1Cc2cccc3c2[C@@]1([C@H](c1c3cccc1)c1ccc(OC)cc1)c1ccccc1.O1Cc2cccc3c2[C@]1([C@@H](c1c3cccc1)c1ccc(OC)cc1)c1ccccc1
• Title of publication: A Tandem Reaction of Benzyne with Functionalized Benzylidenephthalan To Afford Phenanthro[10,1-bc]furan.
• Authors of publication: Siyang, Hai Xiao; Wu, Xu Rui; Liu, Hui Ling; Wu, Xin Yan; Liu, Pei Nian
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 3
• Pages of publication: 1505
• a: 13.0933 ± 0.0014 Å
• b: 10.9512 ± 0.0011 Å
• c: 14.9276 ± 0.0015 Å
• α: 90°
• β: 107.682 ± 0.002°
• γ: 90°
• Cell volume: 2039.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0749
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No