Information card for entry 8105615

Structure parameters

• Formula: C31 H29 N3 O S
• Calculated formula: C31 H29 N3 O S
• SMILES: S=C(N[C@@H](c1ccccc1)CO)Nc1ccc2ccccc2c1c1c2ccccc2ccc1N(C)C
• Title of publication: Crystal structure of 1-((R)-(2′-(dimethylamino)-[1,1′-binaphthalen]-2-yl))-3-((S)-2-hydroxy-1-phenylethyl)thiourea, C31H29N3OS
• Authors of publication: Zhang, Jun na; Liu, Peng; Wei, He
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 2
• Pages of publication: 271 - 273
• a: 8.7252 ± 0.0005 Å
• b: 15.6732 ± 0.0008 Å
• c: 18.9746 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2594.8 ± 0.2 ų
• Cell temperature: 276 ± 2 K
• Ambient diffraction temperature: 276 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.215
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No