Information card for entry 7227035

Structure parameters

• Formula: C21 H25 N O4
• Calculated formula: C21 H25 N O4
• SMILES: O1C(=C(C(c2ccc(cc2)C)C2=C1CC(CC2=O)(C)C)C(=O)OCC)N
• 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: 14.2687 ± 0.001 Å
• b: 8.0116 ± 0.0007 Å
• c: 16.751 ± 0.0011 Å
• α: 90°
• β: 96.487 ± 0.006°
• γ: 90°
• Cell volume: 1902.6 ± 0.2 ų
• Cell temperature: 294.12 ± 0.18 K
• Ambient diffraction temperature: 294.12 ± 0.18 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: 0.0822
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0267
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No