Information card for entry 7245261

Structure parameters

• Formula: C35 H37 N3 O4
• Calculated formula: C35 H37 N3 O4
• Title of publication: Ternary and quaternary cocrystals of 2,7-dihydroxynaphthalene: systematic design with a large synthon module
• Authors of publication: Ahsan, Mollah Rohan; Mukherjee, Arijit
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 9.1627 ± 0.0001 Å
• b: 21.5531 ± 0.0003 Å
• c: 29.7885 ± 0.0004 Å
• α: 90°
• β: 92.713 ± 0.001°
• γ: 90°
• Cell volume: 5876.18 ± 0.13 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0572
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No