Information card for entry 8102688

Structure parameters

• Chemical name: 2,3-O-Cyclohexylidene-D-glyceraldehyde N-benzylnitrone, C~16~H~21~NO~3~
• Formula: C16 H21 N O3
• Calculated formula: C16 H21 N O3
• SMILES: N(=O)(=C[C@@H]1OC2(OC1)CCCCC2)Cc1ccccc1
• Title of publication: Crystal structure of 2,3-O-cyclohexylidene-D-glyceraldehyde N-benzylnitrone, C16H21NO3
• Authors of publication: Wolfgang Frey; Alevtina Baskakova; Andreas Menzel; Volker Jäger
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 245
• a: 10.882 ± 0.003 Å
• b: 5.4217 ± 0.0016 Å
• c: 13.168 ± 0.003 Å
• α: 90°
• β: 109.8 ± 0.02°
• γ: 90°
• Cell volume: 731 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.083
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No