Information card for entry 7225084

Structure parameters

• Formula: C31 H25 N O3
• Calculated formula: C31 H25 N O3
• SMILES: O1c2c(c3c4c5CN(COc5ccc4ccc3OC1)[C@@H](C)c1ccccc1)c1c(cccc1)cc2
• Title of publication: Synthesis of enantiomerically pure helicene-like mono 1,3-oxazines from 1,1’-binaphthyl-2,2’,7-triol and study of their chiroptical properties
• Authors of publication: Bedekar, Ashutosh; Mothuku, Shyam Sundar
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.0291 ± 0.0003 Å
• b: 12.1317 ± 0.0004 Å
• c: 21.5315 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2358.52 ± 0.15 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 1.54184 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No