Information card for entry 4506754

Structure parameters

• Formula: C39 H30 Cl3 N O3 S
• Calculated formula: C39 H30 Cl3 N O3 S
• Title of publication: Diamondoid Porous Organic Salts toward Applicable Strategy for Construction of Versatile Porous Structures
• Authors of publication: Yamamoto, Atsushi; Uehara, Shinji; Hamada, Tomoya; Miyata, Mikiji; Hisaki, Ichiro; Tohnai, Norimitsu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 4600
• a: 30.5283 ± 0.0002 Å
• b: 30.5283 ± 0.0002 Å
• c: 14.0942 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13135.5 ± 0.15 ų
• Cell temperature: 93.1 K
• Ambient diffraction temperature: 296.1 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No