Information card for entry 7152038

Structure parameters

• Formula: C44 H45 Cl4 N7 O2
• Calculated formula: C44 H45 Cl4 N7 O2
• Title of publication: Macrocyclic receptor for pertechnetate and perrhenate anions.
• Authors of publication: Kolesnikov, Grigory V.; German, Konstantin E.; Kirakosyan, Gayane; Tananaev, Ivan G.; Ustynyuk, Yuri A.; Khrustalev, Victor N.; Katayev, Evgeny A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 21
• Pages of publication: 7358 - 7364
• a: 16.89 ± 0.04 Å
• b: 15.29 ± 0.04 Å
• c: 16.64 ± 0.04 Å
• α: 90°
• β: 110.63 ± 0.03°
• γ: 90°
• Cell volume: 4022 ± 17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.3707
• Residual factor for significantly intense reflections: 0.0906
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.2213
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No