Information card for entry 7225083

Structure parameters

• Formula: C67 H66 N4 O12
• Calculated formula: C66.99 H66 N4 O12
• 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: 9.0356 ± 0.0002 Å
• b: 10.3472 ± 0.0003 Å
• c: 16.0067 ± 0.0005 Å
• α: 97.804 ± 0.003°
• β: 104.923 ± 0.002°
• γ: 100.186 ± 0.002°
• Cell volume: 1397.14 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No