Information card for entry 1506529

Structure parameters

• Chemical name: 4-[2-(4-methoxybenzyl)phenyl]morpholine
• Formula: C18 H21 N O2
• Calculated formula: C18 H21 N O2
• SMILES: O(c1ccc(Cc2ccccc2N2CCOCC2)cc1)C
• Title of publication: Preparation of 2- and 4-arylmethyl N-substituted and N,N-disubstituted anilines via a "green", multicomponent reaction.
• Authors of publication: Rosamilia, Anthony E.; Scott, Janet L.; Strauss, Christopher R.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 8
• Pages of publication: 1525 - 1528
• a: 6.8454 ± 0.0002 Å
• b: 7.4615 ± 0.0003 Å
• c: 27.2798 ± 0.0012 Å
• α: 90°
• β: 91.069 ± 0.002°
• γ: 90°
• Cell volume: 1393.13 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1373
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No