Information card for entry 7210664

Structure parameters

• Formula: C42 H37 N2 O6
• Calculated formula: C42 H36 N2 O6
• Title of publication: A red-emissive aminobenzopyrano-xanthene dye: elucidation of fluorescence emission mechanisms in solution and in the aggregate state.
• Authors of publication: Kamino, Shinichiro; Muranaka, Atsuya; Murakami, Miho; Tatsumi, Asana; Nagaoka, Noriyuki; Shirasaki, Yoshinao; Watanabe, Keiko; Yoshida, Kengo; Horigome, Jun; Komeda, Seiji; Uchiyama, Masanobu; Enomoto, Shuichi
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 2131 - 2140
• a: 10.8756 ± 0.0005 Å
• b: 16.1912 ± 0.0007 Å
• c: 20.1235 ± 0.0008 Å
• α: 90°
• β: 94.485 ± 0.007°
• γ: 90°
• Cell volume: 3532.7 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.2629
• Weighted residual factors for all reflections included in the refinement: 0.3082
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No