Information card for entry 7112800

Structure parameters

• Formula: C11 H7 Cl2 N5
• Calculated formula: C11 H7 Cl2 N5
• Title of publication: Rosette nanotubes with 1.4 nm inner diameter from a tricyclic variant of the Lehn-Mascal G‒C base.
• Authors of publication: Borzsonyi, Gabor; Johnson, Ross S.; Myles, Andrew J.; Cho, Jae-Young; Yamazaki, Takeshi; Beingessner, Rachel L.; Kovalenko, Andriy; Fenniri, Hicham
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 35
• Pages of publication: 6527 - 6529
• a: 11.8814 ± 0.0005 Å
• b: 7.4778 ± 0.0004 Å
• c: 13.3827 ± 0.0006 Å
• α: 90°
• β: 104.075 ± 0.003°
• γ: 90°
• Cell volume: 1153.31 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No