Information card for entry 4021059

Structure parameters

• Formula: C13 H10 N4 O
• Calculated formula: C13 H10 N4 O
• SMILES: n1cnc2c(c1c1cc3c(cc1)COC3)[nH]cn2
• Title of publication: Cocyclotrimerization of 6-Alkynylpurines with α,ω-Diynes as a Novel Approach to Biologically Active 6-Arylpurines
• Authors of publication: Pavel Turek; Martin Kotora; Iva Tišlerová; Michal Hocek; Ivan Votruba; Ivana Císařová
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 9224 - 9233
• a: 14.756 ± 0.0003 Å
• b: 9.725 ± 0.0004 Å
• c: 7.231 ± 0.0007 Å
• α: 90°
• β: 93.467 ± 0.003°
• γ: 90°
• Cell volume: 1035.76 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No