Information card for entry 7218048

Structure parameters

• Formula: C17 H15 N O4
• Calculated formula: C17 H15 N O4
• SMILES: c1(ccc(cc1)OC)C1=Nc2c([C@H](C(=O)OC)O1)cccc2
• Title of publication: Intramolecular C-O/C-S bond insertion of α-diazoesters for the synthesis of 2-aryl-4H-benzo[d][1,3]oxazine and 2-aryl-4H-benzo[d][1,3]thiazine derivatives
• Authors of publication: Basireddy, Venkata Subba Reddy; Ramisetti, Anjibabu; Ramana Reddy, Mittapalli; Reddy, Jagan Mohan; Balasubramanian, Sridhar
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 6.2534 ± 0.0005 Å
• b: 7.7581 ± 0.0007 Å
• c: 15.5349 ± 0.0013 Å
• α: 90°
• β: 91.251 ± 0.001°
• γ: 90°
• Cell volume: 753.49 ± 0.11 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No