Information card for entry 4505753

Structure parameters

• Common name: NB2
• Formula: C16 H15 N O6
• Calculated formula: C16 H15 N O6
• SMILES: OCCN1C(=O)c2ccccc2C1=O.c1(O)cc(O)cc(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: 7.7352 ± 0.0007 Å
• b: 23.0212 ± 0.0019 Å
• c: 8.315 ± 0.0007 Å
• α: 90°
• β: 106.454 ± 0.003°
• γ: 90°
• Cell volume: 1420 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No