Information card for entry 4027513

Structure parameters

• Formula: C32 H32 N4 O4
• Calculated formula: C32 H32 N4 O4
• SMILES: c1(CN2C(=O)[C@@]3(C/C=C/C[C@@]45C(=O)N(Cc6ccccc6)C(=O)N4CC=CC5)N(CC=CC3)C2=O)ccccc1
• Title of publication: A Diversity-Oriented Approach to Spirocyclic and Fused Hydantoins via Olefin Metathesis
• Authors of publication: Kalyan Dhara; Ganesh Chandra Midya; Jyotirmayee Dash
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 8071 - 8082
• a: 9.9079 ± 0.0004 Å
• b: 7.3435 ± 0.0003 Å
• c: 18.4664 ± 0.0008 Å
• α: 90°
• β: 101.148 ± 0.001°
• γ: 90°
• Cell volume: 1318.24 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0436
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No