Information card for entry 7105709

Structure parameters

• Formula: C42 H37 N2 O6
• Calculated formula: C42 H36 N2 O6
• SMILES: c12ccc(cc1Oc1cc3Oc4c(ccc(c4)N(CC)CC)[C@@]4(OC(=O)c5c4cccc5)c3cc1[C@@]12OC(=O)c2c1cccc2)N(CC)CC.c12ccc(cc1Oc1cc3Oc4c(ccc(c4)N(CC)CC)[C@]4(OC(=O)c5c4cccc5)c3cc1[C@]12OC(=O)c2c1cccc2)N(CC)CC
• Title of publication: A new class of rhodamine luminophores: design, syntheses and aggregation-induced emission enhancement (C42 H37 N2 O6)
• Authors of publication: Shinichiro Kamino; Yuka Horio; Seiji Komeda; Katsuhiko Minoura; Hayato Ichikawa; Jun Horigome; Asana Tatsumi; Shinya Kaji; Takako Yamaguchi; Yoshihide Usami; Shun Hirota; Shuichi Enomoto; Yoshikazu Fujita
• Journal of publication: Chem.Commun.
• Year of publication: 2010
• Journal volume: 46
• Pages of publication: 9013
• a: 17.5837 ± 0.0011 Å
• b: 23.2759 ± 0.0011 Å
• c: 18.2237 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7458.5 ± 0.7 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.232
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No