Information card for entry 4020302

Structure parameters

• Formula: C30 H35 N3 O4
• Calculated formula: C30 H35 N3 O4
• SMILES: O(c1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)C(=CC[C@@]35OCCCc1ccccc1)c1nc[nH]c1)C)C.O
• Authors of publication: Johannes Schütz; Petra Windisch; Elka Kristeva; Klaus Wurst; Karl-Hans Ongania; Ulrike E. I. Horvath; Herwig Schottenberger; Gerhard Laus; Helmut Schmidhammer
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 5323 - 5326
• a: 7.2678 ± 0.0002 Å
• b: 9.5184 ± 0.0003 Å
• c: 9.629 ± 0.0003 Å
• α: 103.344 ± 0.002°
• β: 93.196 ± 0.002°
• γ: 94.762 ± 0.002°
• Cell volume: 643.96 ± 0.03 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No