Information card for entry 7214275

Structure parameters

• Common name: MBDA-Form-II
• Chemical name: 4,4'-Methylene-bis(2,6-dimethylaniline)
• Formula: C17 H22 N2
• Calculated formula: C17 H22 N2
• Title of publication: Steric guided anomalous thermal expansion in a dimorphic organic system
• Authors of publication: Bhattacharya, Suman; Saha, Binoy K.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 12
• Pages of publication: 2340
• a: 17.967 ± 0.0012 Å
• b: 7.9756 ± 0.0006 Å
• c: 14.0251 ± 0.0008 Å
• α: 90°
• β: 133.571 ± 0.004°
• γ: 90°
• Cell volume: 1456.12 ± 0.19 ų
• Cell temperature: 148 ± 2 K
• Ambient diffraction temperature: 148 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No