Information card for entry 8100444

Structure parameters

• Formula: C22 H22 N4 O2
• Calculated formula: C22 H22 N4 O2
• Title of publication: Crystal structure of 9-benzyl-6-ethoxy-7-ethyl-2-phenyl-7,9-dihydropurin- 8-one, C~22~H~22~N~4~O~2~
• Authors of publication: Euler, H.; Kirfel, A.; Bauer, A.; Müller, C.E.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 4
• Pages of publication: 473 - 474
• a: 22.442 ± 0.011 Å
• b: 7.878 ± 0.002 Å
• c: 23.295 ± 0.006 Å
• α: 90 ± 0.04°
• β: 97.75 ± 0.03°
• γ: 90 ± 0.05°
• Cell volume: 4081 ± 3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No