Information card for entry 2202164

Structure parameters

• Formula: C16 H15 N O3
• Calculated formula: C16 H15 N O3
• SMILES: c12cccc3cccc(c13)C(=O)N(C2=O)CCCOC
• Title of publication: <i>N</i>-(3-Methoxypropyl)-1,8-naphthalimide
• Authors of publication: Zarychta, Bartosz; Zaleski, Jacek; Prezhdo, Victor; Uspenskiy, Boris
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 3
• Pages of publication: o332 - o333
• a: 7.154 ± 0.001 Å
• b: 9.554 ± 0.002 Å
• c: 9.866 ± 0.002 Å
• α: 85.27 ± 0.03°
• β: 82.88 ± 0.03°
• γ: 89.57 ± 0.03°
• Cell volume: 666.9 ± 0.2 ų
• Cell temperature: 90 ± 0.1 K
• Ambient diffraction temperature: 90 ± 0.1 K
• 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: 0.0547
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes