Information card for entry 7153771

Structure parameters

• Formula: C20 H15 N O4
• Calculated formula: C20 H15 N O4
• SMILES: o1c2c(n3c(c(c(c4ccccc4)c3)C(=O)OC)c1=O)ccc(c2)C
• Title of publication: Trifluoroacetic acid-promoted Michael addition-cyclization reactions of vinylogous carbamates.
• Authors of publication: Naganaboina, Ram Tilak; Nayak, Amrita; Peddinti, Rama Krishna
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 21
• Pages of publication: 3366 - 3370
• a: 8.4042 ± 0.0008 Å
• b: 9.8413 ± 0.0009 Å
• c: 10.3659 ± 0.0009 Å
• α: 76.975 ± 0.003°
• β: 72.998 ± 0.003°
• γ: 77.774 ± 0.003°
• Cell volume: 788.93 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0551
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.252
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No