Information card for entry 7106922

Structure parameters

• Formula: C30 H21 Cl2 N O
• Calculated formula: C30 H21 Cl2 N O
• SMILES: N1C(=O)c2ccccc2C2=C(c3ccccc3C2=C1c1ccccc1)c1ccccc1.C(Cl)Cl
• Title of publication: Palladium-catalyzed reaction of 2-alkynylhalobenzene with 2-alkynylbenzamide: an efficient approach to indeno[1,2-c]azepin-3(2H)-ones
• Authors of publication: Yong Luo; Jie Wu
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 11137
• a: 9.29 ± 0.004 Å
• b: 10.294 ± 0.004 Å
• c: 13.291 ± 0.005 Å
• α: 104.106 ± 0.005°
• β: 99.841 ± 0.005°
• γ: 96.454 ± 0.005°
• Cell volume: 1198.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.1832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No