Information card for entry 4032716

Structure parameters

• Formula: C76 H98 N20 O10 S10
• Calculated formula: C76 H98 N20 O10 S10
• Title of publication: Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes.
• Authors of publication: Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 16
• Pages of publication: 8536 - 8547
• a: 11.7748 ± 0.0015 Å
• b: 14.6484 ± 0.0019 Å
• c: 16.718 ± 0.0022 Å
• α: 80.848 ± 0.006°
• β: 88.264 ± 0.006°
• γ: 79.23 ± 0.006°
• Cell volume: 2796.7 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.2141
• Weighted residual factors for all reflections included in the refinement: 0.2208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No