Information card for entry 7152386

Structure parameters

• Formula: C21 H20 N2 O2
• Calculated formula: C21 H20 N2 O2
• SMILES: n1c2c(nc3c1cccc3)c1c(OC2=CC(C)(C)C)c(c(O)cc1)C
• Title of publication: A new approach to construct a fused 2-ylidene chromene ring: highly regioselective synthesis of novel chromeno quinoxalines.
• Authors of publication: Shiva Kumar, K.; Rambabu, D.; Prasad, Bagineni; Mujahid, Mohammad; Krishna, G. Rama; Basaveswara Rao, M. V.; Malla Reddy, C.; Vanaja, G. R.; Kalle, Arunasree M.; Pal, Manojit
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 24
• Pages of publication: 4774 - 4781
• a: 19.497 ± 0.002 Å
• b: 5.5899 ± 0.0007 Å
• c: 16.139 ± 0.002 Å
• α: 90°
• β: 106.361 ± 0.003°
• γ: 90°
• Cell volume: 1687.7 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• 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: 0.0936
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No