Information card for entry 7252081

Structure parameters

• Formula: C102 H102 N12 O20 S4
• Calculated formula: C102 H102 N12 O20 S4
• Title of publication: Solvent-free modafinil acid cocrystallization through a green melt-based approach
• Authors of publication: Hutagaol, Timothy Joseph; Zhou, Jianmin; Liu, Ziyi; Gao, Zhenguo; Gong, Junbo
• Journal of publication: CrystEngComm
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 21
• Pages of publication: 3375 - 3386
• a: 8.7434 ± 0.0004 Å
• b: 10.8237 ± 0.0005 Å
• c: 25.1996 ± 0.0011 Å
• α: 84.465 ± 0.004°
• β: 80.705 ± 0.004°
• γ: 71.166 ± 0.004°
• Cell volume: 2224.96 ± 0.18 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.1271
• Residual factor for significantly intense reflections: 0.1076
• Weighted residual factors for significantly intense reflections: 0.2696
• Weighted residual factors for all reflections included in the refinement: 0.2821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No