cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.14272/abfcofnzmmjkmp-uhfffaoysa-l.1
title: C58H54Cu2I2NP3
title: InChI=1S/C22H24NP.2C18H15P.2Cu.2HI/c1-15-6-7-23-22(14-15)24(20-10-16(2)8-17(3)11-20)21-12-18(4)9-19(5)13-21;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h6-14H,1-5H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2

description: This dataset contains experimental data from a sample (InChI=1S/C22H24NP.2C18H15P.2Cu.2HI/c1-15-6-7-23-22(14-15)24(20-10-16(2)8-17(3)11-20)21-12-18(4)9-19(5)13-21;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h6-14H,1-5H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 31P nuclear magnetic resonance spectroscopy (31P NMR) infrared absorption spectroscopy (IR) mass spectrometry (MS)
DOI: 10.14272/abfcofnzmmjkmp-uhfffaoysa-l/chmo0000739
title: 31P nuclear magnetic resonance spectroscopy (31P NMR) ()
title: InChI=1S/C22H24NP.2C18H15P.2Cu.2HI/c1-15-6-7-23-22(14-15)24(20-10-16(2)8-17(3)11-20)21-12-18(4)9-19(5)13-21;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h6-14H,1-5H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for 31P nuclear magnetic resonance spectroscopy (31P NMR) 31P-NMR (162 MHz, DMSO-d6) δ [ppm] = −4.99 (bs, 1P, PL), −8.27 (bs, 2P, PP). Impurities: 2% phosphine oxide of the ligands, note that the complex was not completely dissolved in the deuterated solvent.
DOI: 10.14272/abfcofnzmmjkmp-uhfffaoysa-l/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C22H24NP.2C18H15P.2Cu.2HI/c1-15-6-7-23-22(14-15)24(20-10-16(2)8-17(3)11-20)21-12-18(4)9-19(5)13-21;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;/h6-14H,1-5H3;2*1-15H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA) m/z [%] = 1299 (7) [M+Cu]+, 1110 (17) [M-I]+, 1037 (5) [Cu3I2LP]+, 848 (20) [Cu2ILP]+, 775 (36) [Cu3I2L]+, 658 (67) [CuLP]+, 585 (70) [Cu2IL]+, 396 (100) [CuL]+, 325 (32) [CuP]+, 263 (21) [P+H]+.
DOI: 10.14272/iuqvcmyrjuoliy-uhfffaoysa-n/chmo0000739
title: 31P nuclear magnetic resonance spectroscopy (31P NMR) (bis(furan-2-yl)-pyridin-2-ylphosphane)
title: InChI=1S/C13H10NO2P/c1-2-8-14-11(5-1)17(12-6-3-9-15-12)13-7-4-10-16-13/h1-10H

description: dataset for 31P nuclear magnetic resonance spectroscopy (31P NMR) 31P-NMR (162 MHz, DMSO-d6) δ [ppm] = −54.11 (s, 1P). Impurities: 2% phosphine oxide of the compound.
DOI: 10.14272/iuqvcmyrjuoliy-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) (bis(furan-2-yl)-pyridin-2-ylphosphane)
title: InChI=1S/C13H10NO2P/c1-2-8-14-11(5-1)17(12-6-3-9-15-12)13-7-4-10-16-13/h1-10H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/iuqvcmyrjuoliy-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) (bis(furan-2-yl)-pyridin-2-ylphosphane)
title: InChI=1S/C13H10NO2P/c1-2-8-14-11(5-1)17(12-6-3-9-15-12)13-7-4-10-16-13/h1-10H

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 20 °C) m/z [%] = 244 (14) [M+H]+, 243 (100) [M]+, 214 (20), 181 (17) [M-Pyr+O]+, 165 (26) [M-Pyr]+, 145/144 (61/16), 131 (20), 117 (23), 109 (31), 89 (17), 83 (21), 78 (18), 69 (49) [Furan+H]+, 58/57 (51/23), 55 (16). – HRMS (C13H10NO2P) calcd: 243.0449; found: 243.0449.
DOI: 10.14272/iuqvcmyrjuoliy-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) (bis(furan-2-yl)-pyridin-2-ylphosphane)
title: InChI=1S/C13H10NO2P/c1-2-8-14-11(5-1)17(12-6-3-9-15-12)13-7-4-10-16-13/h1-10H

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/iuqvcmyrjuoliy-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (bis(furan-2-yl)-pyridin-2-ylphosphane)
title: InChI=1S/C13H10NO2P/c1-2-8-14-11(5-1)17(12-6-3-9-15-12)13-7-4-10-16-13/h1-10H

description: dataset for infrared absorption spectroscopy (IR) IR (ATR) 𝜈̃ [cm–1] = 3114 (vw), 1572 (m), 1561 (w), 1449 (m), 1420 (m), 1367 (w), 1276 (w), 1211 (w), 1152 (m), 1119 (m), 1064 (w), 1046 (w), 1006 (m), 988 (w), 902 (m), 883 (w), 824 (w), 743 (m), 654 (w), 619 (w), 595 (m), 511 (m), 469 (m), 394 (w).
DOI: 10.14272/iuqvcmyrjuoliy-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (bis(furan-2-yl)-pyridin-2-ylphosphane)
title: InChI=1S/C13H10NO2P/c1-2-8-14-11(5-1)17(12-6-3-9-15-12)13-7-4-10-16-13/h1-10H

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C-NMR (101 MHz, DMSO-d6) δ [ppm] = 160.5 (d, 1JCP = 18.8 Hz, 1C, Cq1), 150.1 (d, 3JCP = 13.9 Hz, 1C, C5), 148.7 (d, 3JCP = 2.0 Hz, 2C, C9), 148.5 (d,1 JCP = 11.0 Hz, 2C, Cq6), 136.3 (d, 3JCP = 2.2 Hz, 1C, C3), 126.3 (d, 2JCP = 15.1 Hz, 1C, C2), 123.0 (d, 2JCP = 27.5 Hz, 2C, C7), 122.8 (s, 1C, C4), 111.2 (d, 3JCP = 7.2 Hz, 2C, C8). Impurities: 1% THF, 2% phosphine oxide of the compound according to the 31P-NMR.
DOI: 10.14272/iuqvcmyrjuoliy-uhfffaoysa-n.2
title: C13H10NO2P
title: InChI=1S/C13H10NO2P/c1-2-8-14-11(5-1)17(12-6-3-9-15-12)13-7-4-10-16-13/h1-10H

description: This dataset contains experimental data from a sample (bis(furan-2-yl)-pyridin-2-ylphosphane, InChI=1S/C13H10NO2P/c1-2-8-14-11(5-1)17(12-6-3-9-15-12)13-7-4-10-16-13/h1-10H). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 31P nuclear magnetic resonance spectroscopy (31P NMR) heteronuclear single quantum coherence (HSQC) 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) distortionless enhancement with polarization transfer (DEPT) distortionless enhancement with polarization transfer (DEPT) 1H--1H correlation spectroscopy (1H-1H COSY) infrared absorption spectroscopy (IR) mass spectrometry (MS)
DOI: 10.14272/iuqvcmyrjuoliy-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (bis(furan-2-yl)-pyridin-2-ylphosphane)
title: InChI=1S/C13H10NO2P/c1-2-8-14-11(5-1)17(12-6-3-9-15-12)13-7-4-10-16-13/h1-10H

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H-NMR (400 MHz, DMSO-d6) δ [ppm] = 8.58 (d, 3JHH = 8.0 Hz, 1H, H5), 7.98 (d, 3JHH = 1.7 Hz, 2H, H9), 7.73 (tt, 3JHH = 8.0 Hz, 4JHH = 2.5 Hz, 1H, H3), 7.31 – 7.28 (m, 1H, H4), 7.09 (dd, 3JHH = 7.8 Hz, 4JHH = 1.0 Hz, 1H, H2), 6.98 (t, 3JHH = 2.9 Hz, 2H, H7), 6.59 – 6.57 (m, 2H, H8). Impurities: 1% THF, 2% phosphine oxide of the compound according to the 31P-NMR.
DOI: 10.14272/iuqvcmyrjuoliy-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) (bis(furan-2-yl)-pyridin-2-ylphosphane)
title: InChI=1S/C13H10NO2P/c1-2-8-14-11(5-1)17(12-6-3-9-15-12)13-7-4-10-16-13/h1-10H

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/iuqvcmyrjuoliy-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) (bis(furan-2-yl)-pyridin-2-ylphosphane)
title: InChI=1S/C13H10NO2P/c1-2-8-14-11(5-1)17(12-6-3-9-15-12)13-7-4-10-16-13/h1-10H

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.14272/iuqvcmyrjuoliy-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) (bis(furan-2-yl)-pyridin-2-ylphosphane)
title: InChI=1S/C13H10NO2P/c1-2-8-14-11(5-1)17(12-6-3-9-15-12)13-7-4-10-16-13/h1-10H

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/xjpgggqogsizdy-uhfffaoysa-l/chmo0000159
title: single crystal X-ray diffraction (single-crystal X-ray diffraction) ()
title: InChI=1S/2C18H15P.C17H12F2NP.2Cu.2HI/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-13-4-8-15(9-5-13)21(17-3-1-2-12-20-17)16-10-6-14(19)7-11-16;;;;/h2*1-15H;1-12H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for single crystal X-ray diffraction (single-crystal X-ray diffraction)
DOI: 10.14272/xjpgggqogsizdy-uhfffaoysa-l/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/2C18H15P.C17H12F2NP.2Cu.2HI/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-13-4-8-15(9-5-13)21(17-3-1-2-12-20-17)16-10-6-14(19)7-11-16;;;;/h2*1-15H;1-12H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, DMSO-d6) δ [ppm] = 8.59 (bs, 1H, HL(Pyr)), 7.88 (t, 3JHH = 7.7 Hz, 1H, HL(Pyr)), 7.66 (d, 3JHH = 7.8 Hz, 1H, HL(Pyr)), 7.45–7.42 (m, 23H, HP, HL(Pyr), HL(Tolyl)), 7.34 (t, 3JHH = 7.4 Hz, 12H, HP), 7.15 (t, 3JHH = 8.8 Hz, 4H, HL(Tolyl)). Impurities: 6% unknown, 1% phosphine oxide of the ligands according to the 31P-NMR, note that the complex was not completely dissolved in the deuterated solvent.
DOI: 10.14272/xjpgggqogsizdy-uhfffaoysa-l.1
title: C53H42Cu2F2I2NP3
title: InChI=1S/2C18H15P.C17H12F2NP.2Cu.2HI/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-13-4-8-15(9-5-13)21(17-3-1-2-12-20-17)16-10-6-14(19)7-11-16;;;;/h2*1-15H;1-12H;;;2*1H/q;;;2*+1;;/p-2

description: This dataset contains experimental data from a sample (InChI=1S/2C18H15P.C17H12F2NP.2Cu.2HI/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-13-4-8-15(9-5-13)21(17-3-1-2-12-20-17)16-10-6-14(19)7-11-16;;;;/h2*1-15H;1-12H;;;2*1H/q;;;2*+1;;/p-2). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) 31P nuclear magnetic resonance spectroscopy (31P NMR) 19F nuclear magnetic resonance spectroscopy (19F NMR) infrared absorption spectroscopy (IR) mass spectrometry (MS) single crystal X-ray diffraction (single-crystal X-ray diffraction)
DOI: 10.14272/xjpgggqogsizdy-uhfffaoysa-l/chmo0000597
title: 19F nuclear magnetic resonance spectroscopy (19F NMR) ()
title: InChI=1S/2C18H15P.C17H12F2NP.2Cu.2HI/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-13-4-8-15(9-5-13)21(17-3-1-2-12-20-17)16-10-6-14(19)7-11-16;;;;/h2*1-15H;1-12H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for 19F nuclear magnetic resonance spectroscopy (19F NMR) 19F-NMR (376 MHz, DMSO-d6) δ [ppm] = −114.72 (s, 2F). Impurities:1% phosphine oxide of the ligand according to the 31P-NMR, note that the complex was not completely dissolved in the deuterated solvent.
DOI: 10.14272/xjpgggqogsizdy-uhfffaoysa-l/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/2C18H15P.C17H12F2NP.2Cu.2HI/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-13-4-8-15(9-5-13)21(17-3-1-2-12-20-17)16-10-6-14(19)7-11-16;;;;/h2*1-15H;1-12H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for infrared absorption spectroscopy (IR) IR (ATR) 𝜈̃ [cm–1] = 3050 (vw), 1587 (w), 1495 (w), 1480 (w), 1434 (w), 1393 (vw), 1231 (w), 1160 (w), 1092 (w), 998 (vw), 826 (w), 741 (m), 692 (m), 518 (m), 504 (m), 450 (w), 420 (w).
DOI: 10.14272/xjpgggqogsizdy-uhfffaoysa-l/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/2C18H15P.C17H12F2NP.2Cu.2HI/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-13-4-8-15(9-5-13)21(17-3-1-2-12-20-17)16-10-6-14(19)7-11-16;;;;/h2*1-15H;1-12H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for mass spectrometry (MS) MS (FAB, 3-NBA) m/z [%] = 1265 (2) [M+Cu]+, 1227 (1) [M+H]+, 1100 (3) [M-I]+, 1027 (2) [Cu3I2LP]+, 837 (2) [M+Cu]+, 1203 (1) [M+H]+, 1076 (3) [M-I]+, 1003 (4) [Cu3I2LP]+, 813 (24) [Cu2ILP]+, 776 (21) [Cu2IP2]+, 741 (10) [Cu3I2L]+, 624 (46) [CuLP]+, 587 (62) [CuP2]+, 551 (33) [Cu2IL]+, 514 (16) [Cu2IP]+, 361 (34) [CuL]+, 325 (35) [CuP]+, 263 (19) [P+H]+, 185 (9) [PPh2]+.
DOI: 10.14272/xjpgggqogsizdy-uhfffaoysa-l/chmo0000739
title: 31P nuclear magnetic resonance spectroscopy (31P NMR) ()
title: InChI=1S/2C18H15P.C17H12F2NP.2Cu.2HI/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-13-4-8-15(9-5-13)21(17-3-1-2-12-20-17)16-10-6-14(19)7-11-16;;;;/h2*1-15H;1-12H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for 31P nuclear magnetic resonance spectroscopy (31P NMR) 31P-NMR (162 MHz, DMSO-d6) δ [ppm] = −8.88 (bs, 1P, PL), −9.88 (bs, 2P, PP). Impurities: 1% phosphine oxide of the ligands, note that the complex was not completely dissolved in the deuterated solvent.
DOI: 10.14272/xjpgggqogsizdy-uhfffaoysa-l/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/2C18H15P.C17H12F2NP.2Cu.2HI/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;18-13-4-8-15(9-5-13)21(17-3-1-2-12-20-17)16-10-6-14(19)7-11-16;;;;/h2*1-15H;1-12H;;;2*1H/q;;;2*+1;;/p-2

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (101 MHz, DMSO-d6) δ [ppm] = 164.4 (s), 162.0 (s), 151.2, 137.8, 136.1, 133.7 (d, J = 13.3 Hz), 133.1 (d, J = 27.8 Hz), 131.5, 129.9 (s), 128.5 (d, J = 7.5 Hz), 128.3, 125.0, 115.8 (m), resonances could not be assigned due to low resolution even at 8192 ns (40C). Impurities: 6% unknown, 1% phosphine oxide of the ligands according to the 31P-NMR, note that the complex was not completely dissolved in the deuterated solvent.
DOI: 10.14272/lbdbpqmfdxlykp-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C24H28NP/c1-15-8-9-25-22(14-15)26(23-18(4)10-16(2)11-19(23)5)24-20(6)12-17(3)13-21(24)7/h8-14H,1-7H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR) 𝜈̃ [cm–1] = 2922 (m), 2849 (w), 1585 (m), 1547 (w), 1446 (m), 1373 (w), 1289 (w), 1174 (w), 1121 (vw), 1029 (w), 987 (w), 848 (m), 820 (w), 744 (w), 715 (w), 647 (w), 622 (w), 602 (w), 554 (w), 517 (w), 468 (w), 440 (m), 424 (m), 390 (vw).
DOI: 10.14272/lbdbpqmfdxlykp-uhfffaoysa-n/chmo0000470
title: mass spectrometry (MS) ()
title: InChI=1S/C24H28NP/c1-15-8-9-25-22(14-15)26(23-18(4)10-16(2)11-19(23)5)24-20(6)12-17(3)13-21(24)7/h8-14H,1-7H3

description: dataset for mass spectrometry (MS) MS (EI, 70 eV, 70 °C) m/z [%] = 362/361/360 (3/12/1) [M]+, 84 (100), 69 (38), 56/55 (82/31). – HRMS (C24H28NP) calcd: 361.1959; found: 361.1961.
DOI: 10.14272/lbdbpqmfdxlykp-uhfffaoysa-n/chmo0000596
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C24H28NP/c1-15-8-9-25-22(14-15)26(23-18(4)10-16(2)11-19(23)5)24-20(6)12-17(3)13-21(24)7/h8-14H,1-7H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/lbdbpqmfdxlykp-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C24H28NP/c1-15-8-9-25-22(14-15)26(23-18(4)10-16(2)11-19(23)5)24-20(6)12-17(3)13-21(24)7/h8-14H,1-7H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C-NMR (101 MHz, DMSO-d6) δ [ppm] = 162.4 (d, 1JCP = 6.1 Hz, 1C, Cq1), 149.7 (d, 3JCP = 13.6 Hz, 1C, C5), 146.3 (d, 3JCP = 3.2 Hz, 1C, C3), 142.3 (d, 2JCP = 15.7 Hz, 4C, C8), 137.9 (s, 2C, C10), 129.8 (d, 3JCP = 3.7 Hz, 4C, C9), 129.2 (d, 1JCP = 18.5 Hz, 2C, C7), 128.0 (d, 2JCP = 21.2 Hz, 1C, C2), 123.0 (s, 1C, C4), 22.5 (d, 3JCP = 15.6 Hz, 4C, C11), 20.6 (s, 1C, C6), 20.5 (s, 2C, C12). Impurities: 2% dichloromethane, 4% cyclohexane, 2% phosphine oxide of the compound according to the 31P-NMR.
DOI: 10.14272/lbdbpqmfdxlykp-uhfffaoysa-n/chmo0000596.1
title: distortionless enhancement with polarization transfer (DEPT) ()
title: InChI=1S/C24H28NP/c1-15-8-9-25-22(14-15)26(23-18(4)10-16(2)11-19(23)5)24-20(6)12-17(3)13-21(24)7/h8-14H,1-7H3

description: dataset for distortionless enhancement with polarization transfer (DEPT)
DOI: 10.14272/lbdbpqmfdxlykp-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C24H28NP/c1-15-8-9-25-22(14-15)26(23-18(4)10-16(2)11-19(23)5)24-20(6)12-17(3)13-21(24)7/h8-14H,1-7H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H-NMR (400 MHz, DMSO-d6) δ [ppm] = 8.48 (d, 3JHH = 4.9 Hz, 1H, H5), 7.08 (d, 3JHH = 4.8 Hz, 1H, H4), 6.96 (s, 1H, H2), 6.85 (d, 3JHH = 3.0 Hz, 4H, H9), 2.21 (s, 6H, H12), 2.18 (s, 3H, H6), 2.01 (s, 12H, H11). Impurities: 2% dichloromethane, 4% cyclohexane, 2% phosphine oxide of the compound according to the 31P-NMR.
DOI: 10.14272/lbdbpqmfdxlykp-uhfffaoysa-n.2
title: C24H28NP
title: InChI=1S/C24H28NP/c1-15-8-9-25-22(14-15)26(23-18(4)10-16(2)11-19(23)5)24-20(6)12-17(3)13-21(24)7/h8-14H,1-7H3

description: This dataset contains experimental data from a sample (InChI=1S/C24H28NP/c1-15-8-9-25-22(14-15)26(23-18(4)10-16(2)11-19(23)5)24-20(6)12-17(3)13-21(24)7/h8-14H,1-7H3). The datasets from the following experiments are available: 13C nuclear magnetic resonance spectroscopy (13C NMR) distortionless enhancement with polarization transfer (DEPT) mass spectrometry (MS) 31P nuclear magnetic resonance spectroscopy (31P NMR) distortionless enhancement with polarization transfer (DEPT) heteronuclear single quantum coherence (HSQC) 1H--1H correlation spectroscopy (1H-1H COSY) 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) infrared absorption spectroscopy (IR)
DOI: 10.14272/lbdbpqmfdxlykp-uhfffaoysa-n/chmo0000604
title: heteronuclear single quantum coherence (HSQC) ()
title: InChI=1S/C24H28NP/c1-15-8-9-25-22(14-15)26(23-18(4)10-16(2)11-19(23)5)24-20(6)12-17(3)13-21(24)7/h8-14H,1-7H3

description: dataset for heteronuclear single quantum coherence (HSQC)
DOI: 10.14272/lbdbpqmfdxlykp-uhfffaoysa-n/chmo0001150
title: 1H--1H correlation spectroscopy (1H-1H COSY) ()
title: InChI=1S/C24H28NP/c1-15-8-9-25-22(14-15)26(23-18(4)10-16(2)11-19(23)5)24-20(6)12-17(3)13-21(24)7/h8-14H,1-7H3

description: dataset for 1H--1H correlation spectroscopy (1H-1H COSY)
DOI: 10.14272/lbdbpqmfdxlykp-uhfffaoysa-n/chmo0001148
title: 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC) ()
title: InChI=1S/C24H28NP/c1-15-8-9-25-22(14-15)26(23-18(4)10-16(2)11-19(23)5)24-20(6)12-17(3)13-21(24)7/h8-14H,1-7H3

description: dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
DOI: 10.5281/zenodo.6824751
title: The eclipse of the V773 Tau B circumbinary disk

description: Data related to the paper "The eclipse of the V773 Tau B circumbinary disk" to be published in A&A. Data includes high contrast imaging using the SPHERE instrument on the VLT, photometric time series data from several ground based observatories and from the TESS satellite, and orbital walker bundles from emcee and orbitize!
DOI: 10.5281/zenodo.6824738
title: Coronavirus Spike Protein Sequences from NCBI Virus

description: For the study of taxonomic classification of coronaviruses across all genera (Alpha-, Beta-, Gamma-, and Deltacoronavirus), we can use spike protein sequences downloaded from the NCBI Virus website, \url{https://www.ncbi.nlm.nih.gov/labs/virus/vssi/}. The spike protein sequences used in this study were downloaded on November 21 and 27, 2021 using search terms such as ``spike'', ``S1 protein'', ``S2 protein'', and ``S protein'', in order to download as many spike protein sequences as possible.
DOI: 10.5281/zenodo.6824737
title: Coronavirus Spike Protein Sequences from NCBI Virus

description: For the study of taxonomic classification of coronaviruses across all genera (Alpha-, Beta-, Gamma-, and Deltacoronavirus), we can use spike protein sequences downloaded from the NCBI Virus website, \url{https://www.ncbi.nlm.nih.gov/labs/virus/vssi/}. The spike protein sequences used in this study were downloaded on November 21 and 27, 2021 using search terms such as ``spike'', ``S1 protein'', ``S2 protein'', and ``S protein'', in order to download as many spike protein sequences as possible.
DOI: 10.25919/1kcq-ht18
title: Data for research publication: Electrically tuneable terahertz metasurface enabled by a graphene/gold bilayer structure

description: This collection contains simulation and experimental data obtained in developing and characterising the graphene/gold bilayer frequency selective absorber as reported in the paper: Electrically tuneable terahertz metasurface enabled by a graphene/gold bilayer structure
DOI: 10.5281/zenodo.6824749
title: The SDSS Peculiar Velocity Catalogue

description: Data, randoms and mock galaxy catalogues for the <em>Sloan Digital Sky Survey Peculiar Velocity Catalogue</em>; Howlett et. al., 2022, MNRAS, in press. See arXiv:2201.03112 for more details. Changelog: 1.1.0: Fixed error in v1.0.0 in specObjID column caused (at some point in the pipeline) due to rounding errors when reading/writing large numbers. v1.1.0 has the correct specObjIDs. Note that 'objid' is correct in both versions of the SDSS PV catalogue, and our recommended method to crossmatch to the spectroscopic SDSS data (wherein the corresponding column to match with is 'bestobjid').
DOI: 10.5281/zenodo.6640512
title: The SDSS Peculiar Velocity Catalogue

description: Data, randoms and mock galaxy catalogues for the <em>Sloan Digital Sky Survey Peculiar Velocity Catalogue</em>; Howlett et. al., 2022, MNRAS, in press. See arXiv:2201.03112 for more details. Changelog: 1.1.0: Fixed error in v1.0.0 in specObjID column caused (at some point in the pipeline) due to rounding errors when reading/writing large numbers. v1.1.0 has the correct specObjIDs. Note that 'objid' is correct in both versions of the SDSS PV catalogue, and our recommended method to crossmatch to the spectroscopic SDSS data (wherein the corresponding column to match with is 'bestobjid').
DOI: 10.5281/zenodo.6640513
title: The SDSS Peculiar Velocity Catalogue

description: Data, randoms and mock galaxy catalogues for the <em>Sloan Digital Sky Survey Peculiar Velocity Catalogue</em>; Howlett et. al., 2022, MNRAS, in press. See arXiv:2201.03112 for more details. <strong>This is version 1.0.0, and has been superseded by version 1.1.0. Please use the updated record.</strong> Changelog: 1.1.0: Fixed error in v1.0.0 in specObjID column caused (at some point in the pipeline) due to rounding errors when reading/writing large numbers. v1.1.0 has the correct specObjIDs. Note that 'objid' is correct in both versions of the SDSS PV catalogue, and our recommended method to crossmatch to the spectroscopic SDSS data (wherein the corresponding column to match with is 'bestobjid').
DOI: 10.6084/m9.figshare.20235909.v2
title: Data for "Disrupted local functional connectivity in schizophrenia: an updated and extended meta-analysis"

description: Neuroimaging studies have shown that schizophrenia is associated with disruption of resting-state local functional connectivity. However, the results vary considerably, which hampers our understanding of the underlying pathophysiological mechanism of schizophrenia. Here, we performed an updated and extended meta-analysis to identify the most consistent changes of local functional connectivity measured by regional homogeneity (ReHo) in schizophrenia. Specifically, a systematic search for ReHo studies in patients with schizophrenia in PubMed, Embase, and Web of Science identified 18 studies (20 datasets) including 652 patients and 596 healthy controls. In addition, three whole-brain statistical maps of ReHo differences were calculated based on independent datasets (163 patients and 194 controls). A voxel-wise meta-analysis was then conducted to investigate ReHo differences and their relationship with clinical characteristics using the newly developed seed-based <em>d</em> mapping with permutation of subject images (SDM-PSI) meta-analytic approach. Compared with healthy controls, patients with schizophrenia showed significantly higher ReHo in the bilateral medial superior frontal gyrus, while lower ReHo in the bilateral postcentral gyrus, right precentral gyrus, and right middle occipital gyrus. The following sensitivity analyses including jackknife analysis, subgroup analysis, heterogeneity test, and publication bias test demonstrated that our results were robust and highly reliable. Meta-regression analysis revealed that illness duration was negatively associated with ReHo abnormalities in the right precentral/postcentral gyrus. This comprehensive meta-analysis not only identified consistent and reliably aberrant local functional connectivity in schizophrenia but also helped to further deepen our understanding of its pathophysiology.