Information card for entry 4505754

Structure parameters

• Common name: NB1
• Formula: C16 H15 N O5
• Calculated formula: C16 H15 N O5
• SMILES: OCCN1C(=O)c2ccccc2C1=O.Oc1cccc(O)c1
• Title of publication: Adducts of 2-Hydroxyethylphthalimide with 1,3-Dihydroxybenene and 1,3,5-Trihydroxybenzene
• Authors of publication: Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2003
• Journal volume: 3
• Journal issue: 5
• Pages of publication: 639
• a: 23.306 ± 0.002 Å
• b: 8.0979 ± 0.0007 Å
• c: 15.7049 ± 0.0014 Å
• α: 90°
• β: 98.781 ± 0.003°
• γ: 90°
• Cell volume: 2929.2 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No