Information card for entry 7227036

Structure parameters

• Formula: C21 H16 Br N O5
• Calculated formula: C21 H16 Br N O5
• SMILES: Brc1ccc(C2C(=C(Oc3c4ccccc4oc(=O)c23)N)C(=O)OCC)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: 8.6633 ± 0.0007 Å
• b: 10.4989 ± 0.0011 Å
• c: 10.9588 ± 0.001 Å
• α: 99.683 ± 0.008°
• β: 100.554 ± 0.007°
• γ: 92.904 ± 0.007°
• Cell volume: 962.52 ± 0.16 ų
• Cell temperature: 294.3 ± 0.3 K
• Ambient diffraction temperature: 294.3 ± 0.3 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: 0.0762
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No