Information card for entry 8100023

Structure parameters

• Formula: C30 H24 N3 O3 P S
• Calculated formula: C30 H24 N3 O3 P S
• SMILES: S(=O)(=O)([O-])c1ccc(cc1)N=N#N.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of tetraphenylphosphonium 4-azido-benzenesulfonate, P(C~6~H~5~)~4~[N~3~C~6~H~4~SO~3~]
• Authors of publication: Biesemeier, Frank; Harms, Klaus; Müller, Ulrich
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 1
• Pages of publication: 41 - 43
• a: 15.9227 ± 0.0006 Å
• b: 16.6085 ± 0.0005 Å
• c: 39.822 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10531.1 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No