Information card for entry 2104538

Structure parameters

• Chemical name: 1-Allyl-3-methyl-2-phenyl-5-(phenylthio)-1,2,3,4-tetrahydropyrimido(4,5-d) pyrimidine
• Formula: C22 H22 N4 S
• Calculated formula: C22 H22 N4 S
• SMILES: N1(C(N(Cc2c(ncnc12)Sc1ccccc1)C)c1ccccc1)CC=C
• Title of publication: Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
• Authors of publication: Marsh, Richard E.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: 782 - 783
• a: 27.598 ± 0.004 Å
• b: 6.2826 ± 0.0008 Å
• c: 23.002 ± 0.003 Å
• α: 90°
• β: 103.652 ± 0.003°
• γ: 90°
• Cell volume: 3875.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No