Information card for entry 7251121

Structure parameters

• Formula: C42 H40 N4 O10
• Calculated formula: C42 H40 N4 O10
• 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: 5.9506 ± 0.0005 Å
• b: 11.1443 ± 0.0008 Å
• c: 13.9257 ± 0.0011 Å
• α: 82.324 ± 0.002°
• β: 82.077 ± 0.002°
• γ: 85.923 ± 0.002°
• Cell volume: 905.17 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1201
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No