Information card for entry 7238446

Structure parameters

• Formula: C22 H21 N O2
• Calculated formula: C22 H21 N O2
• Title of publication: (±)-Camphor-10-sulfonic acid catalyzed direct one-pot three-component Mannich type reaction of alkyl (hetero)aryl ketones under solvent-free conditions: application to the synthesis of aminochromans
• Authors of publication: Kundu, Kshama; Nayak, Sandip K.
• Journal of publication: RSC Adv.
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 480
• a: 8.5808 ± 0.0007 Å
• b: 46.211 ± 0.004 Å
• c: 8.7745 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3479.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.1316
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No