Information card for entry 1520451

Structure parameters

• Formula: C40 H32 N2
• Calculated formula: C40 H32 N2
• SMILES: N(c1c2c(c(N(c3ccccc3)CC)c3c2cc2ccccc2c3)c2c1cc1c(c2)cccc1)(c1ccccc1)CC
• Title of publication: One-Shot Double Amination of Sondheimer-Wong Diynes: Synthesis of Photoluminescent Dinaphthopentalenes.
• Authors of publication: Xu, Feng; Peng, Lifen; Shinohara, Kenta; Nishida, Takanori; Wakamatsu, Kan; Uejima, Motoyuki; Sato, Tohru; Tanaka, Kazuyoshi; Machida, Norihiko; Akashi, Haruo; Orita, Akihiro; Otera, Junzo
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 12
• Pages of publication: 3014 - 3017
• a: 12.149 ± 0.004 Å
• b: 7.34 ± 0.003 Å
• c: 16.53 ± 0.006 Å
• α: 90°
• β: 101.456 ± 0.004°
• γ: 90°
• Cell volume: 1444.7 ± 0.9 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No