Information card for entry 7117444

Structure parameters

• Formula: C39 H37 Cl N2 O5 Si
• Calculated formula: C39 H37 Cl N2 O5 Si
• SMILES: [Cl-].[Si]1(c2cc(N(C)C)ccc2C(=c2ccc(=[N+](C)C)cc12)c1ccc(cc1)c1c2ccccc2cc2ccccc12)(C)C.O.O.O.O.O
• Title of publication: The unprecedented J-aggregate formation of rhodamine moieties induced by 9-phenylanthracenyl substitution.
• Authors of publication: Kim, Sooyeon; Fujitsuka, Mamoru; Tohnai, Norimitsu; Tachikawa, Takashi; Hisaki, Ichiro; Miyata, Mikiji; Majima, Tetsuro
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 58
• Pages of publication: 11580 - 11583
• a: 9.8459 ± 0.0005 Å
• b: 10.5371 ± 0.001 Å
• c: 19.8151 ± 0.0017 Å
• α: 94.748 ± 0.005°
• β: 98.528 ± 0.005°
• γ: 110.714 ± 0.005°
• Cell volume: 1881.2 ± 0.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1156
• Residual factor for significantly intense reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.3126
• Weighted residual factors for all reflections included in the refinement: 0.3422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.446
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No