Information card for entry 7060381

Structure parameters

• Common name: spiroquinoline
• Chemical name: '7-(1H-pyrrol-1-yl)spiro[chromeno[4,3-b]quinoline-6,1'-cycloheptane]'
• Formula: C26 H24 N2 O
• Calculated formula: C26 H24 N2 O
• SMILES: n1c2c(cccc2)c(n2cccc2)c2C3(CCCCCC3)Oc3c(cccc3)c12
• Title of publication: Novel 7-(1H-pyrrol-1-yl)spiro[chromeno[4,3-b]quinoline-6,1′-cycloalkanes]: synthesis, cross-coupling reactions, and photophysical properties
• Authors of publication: Silva, Letícia B.; Stefanello, Felipe S.; Feitosa, Sarah C.; Frizzo, Clarissa P.; Martins, Marcos A. P.; Zanatta, Nilo; Iglesias, Bernardo A.; Bonacorso, Helio G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 4061 - 4070
• a: 15.6841 ± 0.0004 Å
• b: 13.1101 ± 0.0003 Å
• c: 20.4047 ± 0.0005 Å
• α: 90°
• β: 106.066 ± 0.001°
• γ: 90°
• Cell volume: 4031.75 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No