Information card for entry 7223989

Structure parameters

• Formula: C25 H23 N O
• Calculated formula: C25 H23 N O
• SMILES: O=C1c2c(N3C(Cc4ccc(cc4C13c1ccccc1)C)(C)C)cccc2
• Title of publication: Synthesis of novel fluorescent 12a-aryl substituted indoxylisoquinolines via aryne-induced domino process
• Authors of publication: Varlamov, Alexey V.; Guranova, Natalia; Borisova, Tatiana N.; Khrustalev, Victor N.; Novikov, Roman; Baleeva, Nadejda; Ilyushenkova, Valentina; Voskressensky, Leonid
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 10.6168 ± 0.0008 Å
• b: 13.029 ± 0.001 Å
• c: 13.6786 ± 0.001 Å
• α: 90°
• β: 91.367 ± 0.001°
• γ: 90°
• Cell volume: 1891.6 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No