Information card for entry 7223024

Structure parameters

• Common name: 3HNHPI
• Chemical name: 3-Hydroxy-N-cyclohexylphthalimide
• Formula: C14 H15 N O3
• Calculated formula: C14 H15 N O3
• SMILES: Oc1cccc2c1C(=O)N(C2=O)C1CCCCC1
• 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: 6.6923 ± 0.0002 Å
• b: 7.5956 ± 0.0002 Å
• c: 22.7742 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1157.66 ± 0.06 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: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No