Information card for entry 7251119

Structure parameters

• Formula: C52 H62 N6 O12
• Calculated formula: C52 H62 N6 O12
• Title of publication: Structural chemistry and environment-dependent fluorescence of a tetratopic pyrrolo[3,2-b]pyrrole ligand
• Authors of publication: Brown, Corey L.; Elliott, Scarlett H.; Woodfine, Sian E.; Hawes, Chris S.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 45
• Pages of publication: 7358 - 7366
• a: 6.016 ± 0.0006 Å
• b: 10.8276 ± 0.001 Å
• c: 18.939 ± 0.002 Å
• α: 96.883 ± 0.004°
• β: 92.383 ± 0.004°
• γ: 93.239 ± 0.003°
• Cell volume: 1221.4 ± 0.2 ų
• Cell temperature: 150.9 K
• Ambient diffraction temperature: 150.9 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1176
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No