Information card for entry 7227034

Structure parameters

• Formula: C18 H17 Br N2 O2
• Calculated formula: C18 H17 Br N2 O2
• SMILES: Brc1ccc(C2C3=C(OC(=C2C#N)N)CC(C)(C)CC3=O)cc1
• Title of publication: A Nano-organo catalyzed route towards the efficient synthesis of benzo[b]pyran derivatives under Ultrasonic irradiation.
• Authors of publication: Nongrum, Ridaphun; Nongthombam, Geetmani Singh; Kharkongor, Mattilang; Rani, Jims World Star; Rahman, Noimur; Kathing, Chingrishon; Myrboh, Bekington; Nongkhlaw, Rishanlang
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 8.1438 ± 0.0007 Å
• b: 9.3009 ± 0.0007 Å
• c: 13.943 ± 0.0013 Å
• α: 76.176 ± 0.007°
• β: 88.325 ± 0.007°
• γ: 78.354 ± 0.007°
• Cell volume: 1004.2 ± 0.15 ų
• Cell temperature: 293.1 ± 0.5 K
• Ambient diffraction temperature: 293.1 ± 0.5 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No