Information card for entry 4107456

Structure parameters

• Formula: C36 H28 N2 O2
• Calculated formula: C36 H28 N2 O2
• SMILES: C1(=O)[C@H]([C@@H](N1c1ccccc1)c1ccccc1)c1ccccc1[C@@H]1C(=O)N([C@H]1c1ccccc1)c1ccccc1.C1(=O)[C@@H]([C@H](N1c1ccccc1)c1ccccc1)c1ccccc1[C@H]1C(=O)N([C@@H]1c1ccccc1)c1ccccc1
• Title of publication: Spiro-Aziridine and Bislactam Formation from Bisketene-Imine Cycloadditions
• Authors of publication: Annette D. Allen; Jazmin Godoy; Nanyan Fu; Michelle Nagy; Sandra Spadaro; Thomas T. Tidwell; Sinisa Vukovic
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 2386 - 2387
• a: 11.0203 ± 0.0006 Å
• b: 14.2539 ± 0.001 Å
• c: 17.3967 ± 0.0011 Å
• α: 90°
• β: 101.395 ± 0.004°
• γ: 90°
• Cell volume: 2678.8 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0953
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1323
• 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