Information card for entry 7219732

Structure parameters

• Common name: Hamada_24_11_14
• Formula: C56 H56 N6 O4
• Calculated formula: C56 H56 N6 O4
• SMILES: O=C1c2ccccc2CCC[C@@]21N(N=C(C1=NN([C@]3([C@@H]1c1ccccc1)C(=O)c1ccccc1CCC3)c1ccccc1)[C@H]2c1ccccc1)c1ccccc1.O=CN(C)C.CN(C=O)C.O=C1c2ccccc2CCC[C@]21N(N=C(C1=NN([C@@]3([C@H]1c1ccccc1)C(=O)c1ccccc1CCC3)c1ccccc1)[C@@H]2c1ccccc1)c1ccccc1.O=CN(C)C.CN(C=O)C
• Title of publication: Ultrasound-Assisted Regio- and Stereoselective Synthesis of Bis-[1`,4`-diaryl-1-oxo-spiro-benzosuberane-2,5`-pyrazoline] Derivatives via 1,3-Dipolar Cycloaddition
• Authors of publication: Behbehani, Haider; Ibrahim, Hamada Mohamed; Dawood, KM
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 11.0471 ± 0.0004 Å
• b: 18.9631 ± 0.0007 Å
• c: 22.9273 ± 0.0008 Å
• α: 90°
• β: 100.077 ± 0.002°
• γ: 90°
• Cell volume: 4728.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1282
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No