Information card for entry 1506208

Structure parameters

• Common name: amino-pyrrolo[2,3-b]quinoxaline
• Chemical name: 1H-3a,8,13,13b-tetraazabenzo[b]cyclohepta[1,2,3-jk]fluorene
• Formula: C17 H18 N4
• Calculated formula: C17 H18 N4
• SMILES: n1c2c(nc3c4c5n(c13)CCCN5CCCC4)cccc2
• Title of publication: From bifunctional nucleophilic behavior of DBU to a new heterocyclic fluorescent platform.
• Authors of publication: Gryko, Daniel T.; Piechowska, Joanna; Tasior, Mariusz; Waluk, Jacek; Orzanowska, Grazyna
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 21
• Pages of publication: 4747 - 4750
• a: 7.4562 ± 0.0012 Å
• b: 16.273 ± 0.003 Å
• c: 11.316 ± 0.002 Å
• α: 90°
• β: 95.83 ± 0.1°
• γ: 90°
• Cell volume: 1365.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1374
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.1954
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No