Information card for entry 7203643

Structure parameters

• Formula: C40 H38 N4 O6
• Calculated formula: C40 H38 N4 O6
• Title of publication: Network formation by a pyrrole functionalized isophthalamide
• Authors of publication: Brooks, Simon J.; Gale, Philip A.; Light, Mark E.
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 877
• a: 23.59 ± 0.005 Å
• b: 8.8353 ± 0.0018 Å
• c: 19.166 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3994.7 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.1324
• Residual factor for significantly intense reflections: 0.1142
• Weighted residual factors for significantly intense reflections: 0.3014
• Weighted residual factors for all reflections included in the refinement: 0.3131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No