Information card for entry 4123607

Structure parameters

• Formula: C44 H42 N2 O7
• Calculated formula: C44 H36 N2 O7
• Title of publication: Reversible near-infrared/blue mechanofluorochromism of aminobenzopyranoxanthene.
• Authors of publication: Tanioka, Masaru; Kamino, Shinichiro; Muranaka, Atsuya; Ooyama, Yousuke; Ota, Hiromi; Shirasaki, Yoshinao; Horigome, Jun; Ueda, Masashi; Uchiyama, Masanobu; Sawada, Daisuke; Enomoto, Shuichi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 20
• Pages of publication: 6436 - 6439
• a: 27.283 ± 0.011 Å
• b: 17.314 ± 0.007 Å
• c: 15.915 ± 0.006 Å
• α: 90°
• β: 101.566 ± 0.007°
• γ: 90°
• Cell volume: 7365 ± 5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1297
• Residual factor for significantly intense reflections: 0.1121
• Weighted residual factors for significantly intense reflections: 0.3303
• Weighted residual factors for all reflections included in the refinement: 0.3452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No