Information card for entry 7152297

Structure parameters

• Formula: C37 H30 Br N O3
• Calculated formula: C37 H32 Br N O3
• SMILES: Brc1ccc2c(c1)c1c3c4c5c6c(C(=O)N(CC(C)(C)C)C(=O)c6ccc5)cc4ccc3ccc1cc2.O1CCCC1
• Title of publication: Synthesis and characterization of 1,8-naphthalimide with [6]helicene skeleton.
• Authors of publication: Kogiso, Toshitaka; Yamamoto, Kosuke; Suemune, Hiroshi; Usui, Kazuteru
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 15
• Pages of publication: 2934 - 2936
• a: 10.9353 ± 0.0015 Å
• b: 12.0352 ± 0.0017 Å
• c: 12.4875 ± 0.0017 Å
• α: 73.716 ± 0.001°
• β: 67.727 ± 0.001°
• γ: 83.617 ± 0.001°
• Cell volume: 1459.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0527
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1526
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No