Information card for entry 7152733

Structure parameters

• Formula: C26 H31 N2 O6
• Calculated formula: C26 H31 N2 O6
• SMILES: O(C)C(=O)[C@@H](N1Cc2c(OC1)ccc1c2c2c(OCN(C2)[C@@H](C(C)C)C(=O)OC)cc1)C(C)C
• Title of publication: Synthesis of chiral bis-oxazines: a preliminary assessment of helical conformational framework.
• Authors of publication: Talele, Harish R.; Bedekar, Ashutosh V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 43
• Pages of publication: 8579 - 8582
• a: 17.0527 ± 0.0007 Å
• b: 17.0527 ± 0.0007 Å
• c: 8.4671 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2462.2 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No