Information card for entry 7246032

Structure parameters

• Formula: C31 H23 N O8
• Calculated formula: C31 H23 N O8
• Title of publication: Synthesis, spectroscopic, SC-XRD/DFT and non-linear optical (NLO) properties of chromene derivatives.
• Authors of publication: Arif, Nadia; Shafiq, Zahid; Noureen, Sajida; Khalid, Muhammad; Ashraf, Abida; Yaqub, Muhammad; Irshad, Shabana; Khan, Muhammad Usman; Arshad, Muhammad Nadeem; Carmo Braga, Ataualpa Albert; Ragab, Ahmed H.; Al-Mhyawi, Saedah R
• Journal of publication: RSC advances
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 464 - 477
• a: 8.6139 ± 0.0015 Å
• b: 10.6283 ± 0.0016 Å
• c: 14.384 ± 0.002 Å
• α: 80.026 ± 0.006°
• β: 80.436 ± 0.007°
• γ: 81.99 ± 0.006°
• Cell volume: 1270.6 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1375
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No