Information card for entry 7151194

Structure parameters

• Formula: C26 H17 N3 O3
• Calculated formula: C26 H17 N3 O3
• SMILES: O(c1ccc(c2c3c(nc4NN(c5ccccc5)C(=O)c24)c2c(C3=O)cccc2)cc1)C
• Title of publication: Three-component synthesis and anticancer evaluation of polycyclic indenopyridines lead to the discovery of a novel indenoheterocycle with potent apoptosis inducing properties.
• Authors of publication: Manpadi, Madhuri; Uglinskii, Pavel Y.; Rastogi, Shiva K.; Cotter, Karen M.; Wong, Yin-Shan C; Anderson, Lisa A.; Ortega, Amber J.; Van Slambrouck, Severine; Steelant, Wim F. A.; Rogelj, Snezna; Tongwa, Paul; Antipin, Mikhail Yu; Magedov, Igor V.; Kornienko, Alexander
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 23
• Pages of publication: 3865 - 3872
• a: 11.3871 ± 0.0016 Å
• b: 18.131 ± 0.003 Å
• c: 19.855 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4099.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0849
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No