Information card for entry 8101265

Structure parameters

• Formula: C15 H13 N3 O5
• Calculated formula: C15 H13 N3 O5
• SMILES: Oc1c(C(=NO)CC(=NO)c2ccc(N(=O)=O)cc2)cccc1
• Title of publication: Crystal structure of diphenylguanidinium dihydrogenphosphite‒phosphoric acid‒water (2/1/1), 2[(C~13~N~3~H~14~)(H~2~PO~3~)] · H~3~PO~3~ · H~2~O
• Authors of publication: Galitsky, N.; Cody, V.; Wallet, J.-C.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 3
• Pages of publication: 352 - 356
• a: 6.979 ± 0.001 Å
• b: 8.309 ± 0.001 Å
• c: 13.128 ± 0.001 Å
• α: 105.566 ± 0.009°
• β: 105.287 ± 0.008°
• γ: 93.15 ± 0.01°
• Cell volume: 701 ± 0.2 ų
• Cell temperature: 292.2 K
• Ambient diffraction temperature: 292.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No