Information card for entry 7129024

Structure parameters

• Formula: C48 H41 N7
• Calculated formula: C48 H41 N7
• Title of publication: Azulene-based fluorescent chemosensor for adenosine diphosphate.
• Authors of publication: López-Alled, Carlos M; Park, Sang Jun; Lee, Dong Joon; Murfin, Lloyd C.; Kociok-Köhn, Gabriele; Hann, Jodie L.; Wenk, Jannis; James, Tony D.; Kim, Hwan Myung; Lewis, Simon E.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 81
• Pages of publication: 10608 - 10611
• a: 13.6047 ± 0.0003 Å
• b: 9.8218 ± 0.0002 Å
• c: 29.367 ± 0.0011 Å
• α: 90°
• β: 100.398 ± 0.003°
• γ: 90°
• Cell volume: 3859.65 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 3
• 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: 0.088
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No