Information card for entry 7238724

Structure parameters

• Formula: C18 H17 N O3
• Calculated formula: C18 H17 N O3
• Title of publication: In(OTf)3-catalyzed tandem aza-Piancatelli rearrangement/Michael reaction for the synthesis of 3,4-dihydro-2H-benzo[b][1,4]thiazine and oxazine derivatives
• Authors of publication: Reddy, B. V. Subba; Reddy, Y. Vikram; Lakshumma, P. Subba; Narasimhulu, G.; Yadav, J. S.; Sridhar, B.; Reddy, P. Purushotham; Kunwar, A. C.
• Journal of publication: RSC Advances
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 28
• Pages of publication: 10661
• a: 18.36 ± 0.003 Å
• b: 10.7617 ± 0.0018 Å
• c: 15.277 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3018.5 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.042
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No