Information card for entry 7228357

Structure parameters

• Formula: C35 H30 N10 O9
• Calculated formula: C35 H30 N10 O9
• Title of publication: A Crab Claw Shaped Molecular Receptor for Selective Recognition of Picric Acid: Supramolecular Self-Assembly Mediated Aggregation Induced Emission and Color Change
• Authors of publication: Pitchaimani, J.; Kundu, Anu; Karthikeyan, Subramanian; Anthony, Philip Philip; Moon, Dohyun; Madhu, Vedichi
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 10.689 ± 0.002 Å
• b: 21.09 ± 0.003 Å
• c: 15.168 ± 0.002 Å
• α: 90°
• β: 93.045 ± 0.004°
• γ: 90°
• Cell volume: 3414.5 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1139
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1735
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No