Information card for entry 7217199

Structure parameters

• Formula: C26 H36 N4 O2
• Calculated formula: C26 H36 N4 O2
• Title of publication: 1D water chain stabilized by meso-expanded calix[4]pyrrole
• Authors of publication: Sathish Kumar, B.; Panda, Pradeepta K.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 37
• Pages of publication: 8669
• a: 10.054 ± 0.002 Å
• b: 10.073 ± 0.002 Å
• c: 12.755 ± 0.003 Å
• α: 107.386 ± 0.003°
• β: 97.437 ± 0.003°
• γ: 96.535 ± 0.002°
• Cell volume: 1206.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No