Information card for entry 4507282

Structure parameters

• Formula: C25 H25 N O3 S
• Calculated formula: C25 H25 N O3 S
• SMILES: S(=O)(=O)(Nc1ccc(OC)cc1)c1cc2c(cccc2)cc1.c1cccc(c1C)C
• Title of publication: Pseudopolymorphism and Polymorphic Transition Behavior ofN-(4′-Methoxyphenyl)-2-naphthalenesulfonamide
• Authors of publication: Sakai, Takahiro; Katagiri, Kosuke; Uemura, Yuki; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 308
• a: 10.917 ± 0.003 Å
• b: 6.1745 ± 0.0018 Å
• c: 32.434 ± 0.009 Å
• α: 90°
• β: 96.594 ± 0.004°
• γ: 90°
• Cell volume: 2171.8 ± 1.1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• 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: 0.085
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1523
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No