Information card for entry 1567691

Structure parameters

• Common name: Bis(4-hydroxyphenyl) 1,4-phenylenebiscarbamate
• Chemical name: 4-Hydroxyphenyl <i>N</i>-{4-[(4-hydroxyphenoxycarbonyl)amino]phenyl}carbamate
• Formula: C20 H16 N2 O6
• Calculated formula: C20 H16 N2 O6
• SMILES: c1c(NC(=O)Oc2ccc(cc2)O)ccc(c1)NC(=O)Oc1ccc(cc1)O
• Title of publication: Bis(4-hydroxyphenyl) 1,4-phenylenebiscarbamate
• Authors of publication: Martínez-de la Luz, Isabel; López-Velázquez, Delia; Bernès, Sylvain; Varela Caselis, Jenaro L.
• Journal of publication: IUCrData
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 9
• Pages of publication: x220919
• a: 19.0804 ± 0.0017 Å
• b: 4.6758 ± 0.0003 Å
• c: 10.1189 ± 0.0008 Å
• α: 90°
• β: 101.169 ± 0.007°
• γ: 90°
• Cell volume: 885.67 ± 0.12 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 K
• Number of distinct elements: 4
• 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: 0.0855
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1544
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56083 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No