Information card for entry 4032715

Structure parameters

• Formula: C98 H128 N20 O21 S3
• Calculated formula: C98 H128 N20 O21 S3
• 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: 11.6172 ± 0.0005 Å
• b: 14.6794 ± 0.0006 Å
• c: 17.7544 ± 0.0008 Å
• α: 77.537 ± 0.002°
• β: 72.168 ± 0.002°
• γ: 81.93 ± 0.002°
• Cell volume: 2805.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0966
• Residual factor for significantly intense reflections: 0.0945
• Weighted residual factors for significantly intense reflections: 0.2211
• Weighted residual factors for all reflections included in the refinement: 0.2222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No