Information card for entry 4507283

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.c1(ccc(cc1)C)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: 11.1932 ± 0.0013 Å
• b: 6.0493 ± 0.0007 Å
• c: 32.694 ± 0.004 Å
• α: 90°
• β: 98.736 ± 0.001°
• γ: 90°
• Cell volume: 2188.1 ± 0.4 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: 0.0483
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No