Information card for entry 7150736

Structure parameters

• Formula: C26 H25 N O3
• Calculated formula: C26 H25 N O3
• SMILES: O1c2cc(c(c(c2N(CC=CC1)c1ccccc1)C)C(=O)OCC)c1ccccc1
• Title of publication: High-yielding synthesis of Nefopam analogues (functionalized benzoxazocines) by sequential one-pot cascade operations
• Authors of publication: Ramachary, Dhevalapally B.; Narayana, Vidadala V.; Prasad, M. Shiva; Ramakumar, Kinthada
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 17
• Pages of publication: 3372 - 3378
• a: 14.2321 ± 0.0013 Å
• b: 13.8619 ± 0.0013 Å
• c: 11.2976 ± 0.0011 Å
• α: 90°
• β: 105.46 ± 0.002°
• γ: 90°
• Cell volume: 2148.2 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1082
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No