Information card for entry 7223025

Structure parameters

• Common name: DHNHPI
• Chemical name: 3,6-Dihydroxy-N-cyclohexylphthalimide
• Formula: C14 H15 N O4
• Calculated formula: C14 H15 N O4
• SMILES: C1(=O)c2c(ccc(c2C(=O)N1C1CCCCC1)O)O
• Title of publication: Fluorescence emissions of imide compounds and end-capped polyimides enhanced by intramolecular double hydrogen bonds.
• Authors of publication: Kanosue, Kenta; Ando, Shinji
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 45
• Pages of publication: 30659 - 30669
• a: 5.0909 ± 0.0001 Å
• b: 5.2071 ± 0.0001 Å
• c: 23.0054 ± 0.0004 Å
• α: 93.826 ± 0.001°
• β: 94.857 ± 0.001°
• γ: 98.102 ± 0.001°
• Cell volume: 599.68 ± 0.02 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Ambient diffracton pressure: 101.3 kPa
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No