Information card for entry 2235126

Structure parameters

• Chemical name: 4-Phenethoxyaniline hemihydrate
• Formula: C14 H16 N O1.5
• Calculated formula: C14 H16 N O1.5
• Title of publication: 4-Phenethoxyaniline hemihydrate
• Authors of publication: Akhter, Toheed; Masood Siddiqi, Humaira; Akhter, Zareen; McKee, Vickie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1912
• a: 11.6046 ± 0.0008 Å
• b: 13.1937 ± 0.001 Å
• c: 7.9114 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1211.3 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 27
• Hermann-Mauguin space group symbol: P c c 2
• Hall space group symbol: P 2 -2c
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes