Information card for entry 4026364

Structure parameters

• Formula: C26 H23 N O2
• Calculated formula: C26 H23 N O2
• SMILES: N1(C(=O)C(C2=C1C(c1c2cccc1)c1ccccc1)(C)C)c1ccc(OC)cc1
• Title of publication: Interaction of β-Lactam Carbenes with 3,6-Diphenyltetrazines: A Five-Step Cascade Reaction for the Direct Construction of Indeno[2,1-b]pyrrol-2-ones
• Authors of publication: Juan Xing; Xiao-Rong Wang; Cai-Xia Yan; Ying Cheng
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 4746 - 4752
• a: 20.497 ± 0.004 Å
• b: 10.569 ± 0.002 Å
• c: 19.108 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4139.4 ± 1.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No