Information card for entry 8100145

Structure parameters

• Formula: C30 H32 N2 O5
• Calculated formula: C30 H32 N2 O5
• SMILES: N(C1=NC2(CCCC2)c2cc(OC)c(OC)cc2C1=O)c1cc2cc(OC)c(OC)cc2c2CCCc12
• Title of publication: Crystal structure of 3'-[(7,8-dimethoxy-2,3-dihydro-1H-cyclopenta [a]naphthalen-4-yl)amino]-6',7'-dimethoxy-4'H-spiro[cyclopentane-1, 1'-isoquinolin]-4?-one, C~30~H~32~N~2~O~5~
• Authors of publication: Herrera, Antonio; Martinez-Alvarez, Roberto; Ramiro, Pedro; Torres, M. Rosario
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 3
• Pages of publication: 305 - 306
• a: 14.902 ± 0.002 Å
• b: 7.2771 ± 0.0011 Å
• c: 23.786 ± 0.004 Å
• α: 90°
• β: 92.008 ± 0.004°
• γ: 90°
• Cell volume: 2577.8 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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