Information card for entry 7106124

Structure parameters

• Formula: C16 H19 N O3
• Calculated formula: C16 H19 N O3
• Title of publication: Stereoselective synthesis of oxazino [4,3-a]indoles employing oxa-Pictet-Spengler reaction of indoles bearing N-tethered vinylogous caronate
• Authors of publication: Santosh J. Gharpure; A. M. Sathiyanarayanan
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 3625
• a: 10.4764 ± 0.0004 Å
• b: 8.4739 ± 0.0003 Å
• c: 17.5527 ± 0.0008 Å
• α: 90°
• β: 102.944 ± 0.002°
• γ: 90°
• Cell volume: 1518.66 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1076
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No