Information card for entry 2102834

Structure parameters

• Formula: C29 H32 Li N3 O7 S2
• Calculated formula: C29 H32 Li N3 O7 S2
• SMILES: c1c(ccc(c1)C)S(=O)(=O)Nc1ccccc1/C=N/c1cc2c(cc1)[O]1CC[O]3CC[O]4CC[O]5CC[O]2[Li]1345N=C=S
• Title of publication: Synchrotron powder diffraction in a systematic study of 4'-[2-(tosylamino)benzylideneamino]-2,3-benzo-15-crown-5 complexes
• Authors of publication: Dorokhov, Andrey V.; Chernyshov, Dmitrii Yu.; Burlov, Anatolii S.; Garnovskii, Alexandr D.; Ivanova, Irina S.; Pyatova, Elena N.; Tsivadze, Aslan Yu.; Aslanov, Leonid A.; Chernyshev, Vladimir V.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: 402 - 410
• a: 9.2918 ± 0.0003 Å
• b: 23.0117 ± 0.0007 Å
• c: 15.2798 ± 0.0005 Å
• α: 90°
• β: 108.063 ± 0.002°
• γ: 90°
• Cell volume: 3106.11 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Goodness-of-fit parameter for all reflections: 1.98
• Diffraction radiation wavelength: 0.52 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No