Information card for entry 7154717

Structure parameters

• Common name: BODIPY1
• Chemical name: 1-[4-(6-bromobenzo[1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta-[c]quinolin-8-yl]ethanone
• Formula: C16 H10 B Br F2 N2 O2
• Calculated formula: C16 H10 B Br F2 N2 O2
• SMILES: Brc1cc2OCOc2cc1C1=c2[n]([B](F)(F)n3c1ccc3)ccc2
• Title of publication: A Bodipy as a luminescent probe for detection of the G protein estrogen receptor (GPER).
• Authors of publication: Papalia, T.; Lappano, R.; Barattucci, A.; Pisano, A.; Bruno, G.; Santolla, M. F.; Campagna, S.; De Marco, P.; Puntoriero, F.; De Francesco, E. M.; Rosano, C.; Maggiolini, M.; Bonaccorsi, P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 42
• Pages of publication: 10437 - 10441
• a: 6.707 ± 0.0001 Å
• b: 9.455 ± 0.0002 Å
• c: 12.934 ± 0.0003 Å
• α: 110.616 ± 0.001°
• β: 95.007 ± 0.001°
• γ: 95.594 ± 0.001°
• Cell volume: 757.49 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No