Information card for entry 1516611

Structure parameters

• Formula: C17 H14 N2 O3
• Calculated formula: C17 H14 N2 O3
• SMILES: OC12N(c3ccccc3C(=O)NCC2)C(=O)c2c1cccc2
• Title of publication: Photocyclization of N,N-phthaloylanthranilic amides coupled to ω-amino acids with increasing chain lengths
• Authors of publication: Griesbeck, Axel G.; Kramer, Wolfgang; Heinrich, Thomas; Lex, Johann
• Journal of publication: Photochemical & Photobiological Sciences
• Year of publication: 2002
• Journal volume: 1
• Journal issue: 4
• Pages of publication: 237
• a: 11.398 ± 0.001 Å
• b: 15.357 ± 0.001 Å
• c: 16.312 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2855.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0998
• 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