Information card for entry 7232573

Structure parameters

• Formula: C30 H42 N6 O4
• Calculated formula: C30 H42 N6 O4
• Title of publication: Mechanochemical preparation of molecular and ionic co-crystals of the hormone melatonin
• Authors of publication: Shemchuk, O.; André, V.; Duarte, M. T.; Braga, D.; Grepioni, F.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 18
• Pages of publication: 2949
• a: 17.05 ± 0.0007 Å
• b: 9.8304 ± 0.0004 Å
• c: 9.3339 ± 0.0003 Å
• α: 90°
• β: 105.097 ± 0.002°
• γ: 90°
• Cell volume: 1510.44 ± 0.1 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor R(I) for significantly intense reflections: 0.0115
• Goodness-of-fit parameter for all reflections: 3.84067
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No