Information card for entry 8101013

Structure parameters

• Formula: C19 H22 N2 O4 S2
• Calculated formula: C19 H22 N2 O4 S2
• Title of publication: Crystal structure of 1,3-bis(toluene-4-sulfonyl)-2,3,4,7-tetrahydro- 1H-1,3-diazepine, C~19~H~22~N~2~O~4~S~2~
• Authors of publication: Wattenbach, Carsten; Frauenrath, Herbert; Palme-König, Rouven; Müller, Ulrich
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 3
• Pages of publication: 397 - 398
• a: 24.6 ± 0.016 Å
• b: 6.883 ± 0.008 Å
• c: 11.327 ± 0.003 Å
• α: 90°
• β: 91.2 ± 0.04°
• γ: 90°
• Cell volume: 1917 ± 3 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No