Information card for entry 4513205

Structure parameters

• Formula: C19 H19 N O S
• Calculated formula: C19 H19 N O S
• SMILES: CN(C)c1ccc(cc1)[C@@](c1cccs1)(c1ccccc1)O
• Title of publication: Racemic Triarylmethanol Derivative Crystallizes as a Chiral Crystal Structure with Enantiomeric Disorder, in the Sohncke Space GroupP21
• Authors of publication: Chulvi, Katherine; Costero, Ana M.; Ochando, Luis E.; Gaviña, Pablo
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 7
• Pages of publication: 3452
• a: 6.5739 ± 0.0006 Å
• b: 14.5868 ± 0.0012 Å
• c: 8.3126 ± 0.0007 Å
• α: 90°
• β: 91.506 ± 0.008°
• γ: 90°
• Cell volume: 796.84 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0317
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No