Information card for entry 8000161

Structure parameters

• Formula: C30 H25 N3 O3
• Calculated formula: C30 H25 N3 O3
• SMILES: O=C1N(C(=O)N(C(=O)C21[C@@H](c1c(N[C@@H]2c2ccccc2)ccc2ccccc12)c1ccccc1)C)C.O=C1N(C(=O)N(C(=O)C21[C@H](c1c(N[C@H]2c2ccccc2)ccc2ccccc12)c1ccccc1)C)C
• Title of publication: Unexpected Spiro-benzoquinolines in the Reaction of N-(Arylidene)naphthalen-2-amine, Arylaldehyde, and 1,3-Dimethylbarbituric Acid in Water
• Authors of publication: Wang, Xiang-Shan; Zhang, Mei-Mei; Jiang, Hong; Yao, Chang-Sheng; Tu, Shu-Jiang
• Journal of publication: Chemistry Letters
• Year of publication: 2007
• Journal volume: 36
• Journal issue: 3
• Pages of publication: 450
• a: 15.8386 ± 0.0016 Å
• b: 8.5314 ± 0.0008 Å
• c: 17.3856 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2349.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0392
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No