cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.6695065
title: Data from: Plant community stability is associated with a decoupling of prokaryote and fungal soil networks

description: Data from the manuscript Plant community stability is associated with a decoupling of prokaryote and fungal soil networks: https://doi.org/10.1101/2022.06.21.496867
description: This research was supported by GACR 20-01813S and institutional projects RVO 67985939 and Ministry of Education of CZ (MŠMT).
DOI: 10.5281/zenodo.6695064
title: Data from: Plant community stability is associated with a decoupling of prokaryote and fungal soil networks

description: Data from the manuscript Plant community stability is associated with a decoupling of prokaryote and fungal soil networks: https://doi.org/10.1101/2022.06.21.496867
description: This research was supported by GACR 20-01813S and institutional projects RVO 67985939 and Ministry of Education of CZ (MŠMT).
DOI: 10.5281/zenodo.6696776
title: Historic data of the national electricity system transitions in Europe in 1990–2019 for retrospective evaluation of models [dataset]

description: This data package supports empirical analysis of national electricity system transitions and retrospective evaluation of electricity system models in 1990–2019 in 31 European countries, including the EU27, Switzerland, Iceland, Norway, and the United Kingdom. The data package covers two types of content. Firstly, we provide an annotated list of 528 original data sources and references relevant for retrospective electricity system modeling with emphasis on open-access sources. Secondly, we provide a total of 1359 processed and harmonized data files in a format that is suitable as inputs to electricity system models. Four types of data files are included for each country: (i) a country file documenting national demand and economic data, (ii) technology files describing techno-economic data for each major generation technology in the country's electricity mix, (iii) resource files describing fuel prices and CO2 emissions for each fuel, and (iv) load profiles describing 24-hour national load curves for each available year. We provide these data files as comma-separated files to enable their wider reuse for retrospective evaluation of models as well as for empirical analyses of the European electricity system transitions.
DOI: 10.5281/zenodo.6338417
title: Historic data of the national electricity system transitions in Europe in 1990–2019 for retrospective evaluation of models [dataset]

description: This data package supports empirical analysis of national electricity system transitions and retrospective evaluation of electricity system models in 1990–2019 in 31 European countries, including the EU27, Switzerland, Iceland, Norway, and the United Kingdom. The data package covers two types of content. Firstly, we provide an annotated list of 528 original data sources and references relevant for retrospective electricity system modeling with emphasis on open-access sources. Secondly, we provide a total of 1359 processed and harmonized data files in a format that is suitable as inputs to electricity system models. Four types of data files are included for each country: (i) a country file documenting national demand and economic data, (ii) technology files describing techno-economic data for each major generation technology in the country's electricity mix, (iii) resource files describing fuel prices and CO2 emissions for each fuel, and (iv) load profiles describing 24-hour national load curves for each available year. We provide these data files as comma-separated files to enable their wider reuse for retrospective evaluation of models as well as for empirical analyses of the European electricity system transitions.
DOI: 10.6084/m9.figshare.20131857
title: Supplementary information 4 from Language as a tool for social bonding evolved from gestures: evidence from wild chimpanzee gestural, vocal and bimodal signals

description: Data
DOI: 10.6084/m9.figshare.20131857.v1
title: Supplementary information 4 from Language as a tool for social bonding evolved from gestures: evidence from wild chimpanzee gestural, vocal and bimodal signals

description: Data
DOI: 10.6084/m9.figshare.20131860
title: Supplementary information 3 from Language as a tool for social bonding evolved from gestures: evidence from wild chimpanzee gestural, vocal and bimodal signals

description: Data
DOI: 10.6084/m9.figshare.20131860.v1
title: Supplementary information 3 from Language as a tool for social bonding evolved from gestures: evidence from wild chimpanzee gestural, vocal and bimodal signals

description: Data
DOI: 10.6084/m9.figshare.20078924
title: Data used for the analysis from The thermal niche and phylogenetic assembly of evergreen tree metacommunities in a mid-to-upper tropical montane zone

description: Zipped file containing (1) species list used to create the phylogeny; (2) species abundances by plot; (3) environmental predictors used in analysis by plot; (4) image of the phylogenentic tree for the species in the study with nodes labelled.
DOI: 10.6084/m9.figshare.20078924.v1
title: Data used for the analysis from The thermal niche and phylogenetic assembly of evergreen tree metacommunities in a mid-to-upper tropical montane zone

description: Zipped file containing (1) species list used to create the phylogeny; (2) species abundances by plot; (3) environmental predictors used in analysis by plot; (4) image of the phylogenentic tree for the species in the study with nodes labelled.
DOI: 10.14272/lsjvjaoclwcape-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C9H3N9O6/c10-16-13-4-1(7(19)20)5(14-17-11)3(9(23)24)6(15-18-12)2(4)8(21)22/h(H,19,20)(H,21,22)(H,23,24)

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, DMSO-d6 [39.5 ppm], ppm) δ = 164.3 (3C), 134.9 (3C), 121.2 (3C).
DOI: 10.14272/lsjvjaoclwcape-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C9H3N9O6/c10-16-13-4-1(7(19)20)5(14-17-11)3(9(23)24)6(15-18-12)2(4)8(21)22/h(H,19,20)(H,21,22)(H,23,24)

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3387 (w), 3097 (w), 2908 (w), 2649 (w), 2138 (vs), 2112 (vs), 1758 (w), 1686 (vs), 1545 (vs), 1428 (m), 1371 (s), 1288 (vs), 1259 (vs), 1244 (vs), 1214 (vs), 1173 (vs), 1147 (s), 973 (s), 867 (s), 860 (s), 837 (s), 823 (s), 792 (m), 756 (m), 735 (s), 686 (s), 653 (s), 636 (vs), 602 (vs), 577 (s), 528 (vs), 518 (s), 483 (s), 458 (vs).
DOI: 10.14272/lsjvjaoclwcape-uhfffaoysa-n/chmo0000480
title: electron ionisation mass spectrometry (EI-MS) ()
title: InChI=1S/C9H3N9O6/c10-16-13-4-1(7(19)20)5(14-17-11)3(9(23)24)6(15-18-12)2(4)8(21)22/h(H,19,20)(H,21,22)(H,23,24)

description: dataset for electron ionisation mass spectrometry (EI-MS) MS (EI, 70 eV, 30 °C), m/z (%): 334 (6) [M+H]+, 307 (13), 219 (28), 217 (29), 155 (36), 154 (100), 147 (26), 139 (22), 138 (42), 137 (72), 136 (85), 131 (21), 121 (21), 119 (24), 109 (27), 107 (38), 105 (27), 97 (36), 95 (49), 93 (22), 91 (54), 89 (23).
DOI: 10.14272/lsjvjaoclwcape-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C9H3N9O6/c10-16-13-4-1(7(19)20)5(14-17-11)3(9(23)24)6(15-18-12)2(4)8(21)22/h(H,19,20)(H,21,22)(H,23,24)

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, DMSO-d6 [2.50 ppm], ppm) δ = 14.50 (br, 3H, OH).
DOI: 10.14272/lsjvjaoclwcape-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C9H3N9O6/c10-16-13-4-1(7(19)20)5(14-17-11)3(9(23)24)6(15-18-12)2(4)8(21)22/h(H,19,20)(H,21,22)(H,23,24)

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–EI (m/z): [M]+ calcd for C9H4O6N9: 334.0281; found 334.0279.
DOI: 10.14272/lsjvjaoclwcape-uhfffaoysa-n.1
title: 2,4,6-triazidobenzene-1,3,5-tricarboxylic acid
title: InChI=1S/C9H3N9O6/c10-16-13-4-1(7(19)20)5(14-17-11)3(9(23)24)6(15-18-12)2(4)8(21)22/h(H,19,20)(H,21,22)(H,23,24)

description: This dataset contains experimental data from a sample (InChI=1S/C9H3N9O6/c10-16-13-4-1(7(19)20)5(14-17-11)3(9(23)24)6(15-18-12)2(4)8(21)22/h(H,19,20)(H,21,22)(H,23,24)). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) infrared absorption spectroscopy (IR) electron ionisation mass spectrometry (EI-MS) high-resolution mass spectrometry (HRMS)
DOI: 10.14272/rjjpadykfcvkll-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C18H27N3O6/c1-7(2)25-16(22)10-13(19)11(17(23)26-8(3)4)15(21)12(14(10)20)18(24)27-9(5)6/h7-9H,19-21H2,1-6H3

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA), m/z (%): 383 (11), 382 (57) [M+H]+, 381 (100) [M]+, 323 (12), 322 (54), 280 (12), 238 (18), 220 (16), 193 (16).
DOI: 10.14272/rjjpadykfcvkll-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C18H27N3O6/c1-7(2)25-16(22)10-13(19)11(17(23)26-8(3)4)15(21)12(14(10)20)18(24)27-9(5)6/h7-9H,19-21H2,1-6H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3): δ [ppm] = 8.79 (s, br, 6H, NH), 5.29 (sept, J = 6.3 Hz, 3H, CH), 1.39 (d, J = 6.3 Hz, 18H, CH3). Impurities: 5.07 (dq, isopropyl 2-cyanoacetate), 3.30 (s, isopropyl 2-cyanoacetate), 1.27 (d, isopropyl 2-cyanoacetate), 1.55 (unknown), 1.25 (grease).
DOI: 10.14272/rjjpadykfcvkll-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C18H27N3O6/c1-7(2)25-16(22)10-13(19)11(17(23)26-8(3)4)15(21)12(14(10)20)18(24)27-9(5)6/h7-9H,19-21H2,1-6H3

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–FAB (m/z): [M]+ calcd for C18H27O6N3: 381.1894; found 381.1893.
DOI: 10.14272/rjjpadykfcvkll-uhfffaoysa-n/chmo0000159
title: single crystal X-ray diffraction (single-crystal X-ray diffraction) ()
title: InChI=1S/C18H27N3O6/c1-7(2)25-16(22)10-13(19)11(17(23)26-8(3)4)15(21)12(14(10)20)18(24)27-9(5)6/h7-9H,19-21H2,1-6H3

description: dataset for single crystal X-ray diffraction (single-crystal X-ray diffraction)
DOI: 10.14272/rjjpadykfcvkll-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C18H27N3O6/c1-7(2)25-16(22)10-13(19)11(17(23)26-8(3)4)15(21)12(14(10)20)18(24)27-9(5)6/h7-9H,19-21H2,1-6H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d [77.0 ppm], ppm) δ = 168.4 (3C), 159.2 (3C), 86.9 (3C), 68.1 (3C), 22.3 (6C). Impurity: 21.7 (grease).
DOI: 10.14272/rjjpadykfcvkll-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C18H27N3O6/c1-7(2)25-16(22)10-13(19)11(17(23)26-8(3)4)15(21)12(14(10)20)18(24)27-9(5)6/h7-9H,19-21H2,1-6H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3500 (m), 3458 (m), 3397 (m), 3364 (w), 3251 (w), 2982 (w), 2931 (w), 2873 (vw), 1730 (vw), 1672 (s), 1659 (s), 1632 (w), 1562 (vs), 1519 (vs), 1452 (s), 1432 (s), 1385 (m), 1370 (s), 1346 (m), 1217 (vs), 1174 (vs), 1145 (vs), 1105 (vs), 1057 (vs), 924 (vs), 833 (m), 809 (vs), 748 (w), 725 (m), 705 (m), 681 (m), 609 (vs), 552 (m), 507 (vs), 460 (vs), 446 (vs), 435 (vs), 380 (vs) cm–1.
DOI: 10.14272/rjjpadykfcvkll-uhfffaoysa-n.1
title: Triisopropyl 2,4,6-triaminobenzene-1,3,5-tricarboxylate
title: InChI=1S/C18H27N3O6/c1-7(2)25-16(22)10-13(19)11(17(23)26-8(3)4)15(21)12(14(10)20)18(24)27-9(5)6/h7-9H,19-21H2,1-6H3

description: This dataset contains experimental data from a sample (InChI=1S/C18H27N3O6/c1-7(2)25-16(22)10-13(19)11(17(23)26-8(3)4)15(21)12(14(10)20)18(24)27-9(5)6/h7-9H,19-21H2,1-6H3). The datasets from the following experiments are available: infrared absorption spectroscopy (IR) fast-atom bombardment mass spectrometry (FABMS) high-resolution mass spectrometry (HRMS) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) single crystal X-ray diffraction (single-crystal X-ray diffraction)
DOI: 10.14272/bdzryaktxqrgms-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) (trimethyl 2,4,6-tribromobenzene-1,3,5-tricarboxylate)
title: InChI=1S/C12H9Br3O6/c1-19-10(16)4-7(13)5(11(17)20-2)9(15)6(8(4)14)12(18)21-3/h1-3H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 2956 (w), 1721 (vs), 1548 (s), 1451 (w), 1434 (m), 1366 (w), 1344 (m), 1228 (vs), 1179 (vs), 1153 (s), 1075 (w), 983 (vs), 884 (vs), 823 (w), 803 (w), 768 (w), 756 (w), 742 (w), 664 (w), 537 (s), 482 (w), 421 (m) cm–1.
DOI: 10.14272/bdzryaktxqrgms-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) (trimethyl 2,4,6-tribromobenzene-1,3,5-tricarboxylate)
title: InChI=1S/C12H9Br3O6/c1-19-10(16)4-7(13)5(11(17)20-2)9(15)6(8(4)14)12(18)21-3/h1-3H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3 [7.27 ppm], ppm) δ = 3.99 (s, 9H, CH3).
DOI: 10.14272/bdzryaktxqrgms-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) (trimethyl 2,4,6-tribromobenzene-1,3,5-tricarboxylate)
title: InChI=1S/C12H9Br3O6/c1-19-10(16)4-7(13)5(11(17)20-2)9(15)6(8(4)14)12(18)21-3/h1-3H3

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA), m/z (%): 493 (15) [C12H9O681Br3+H]+, 491 (46) [C12H9O679Br81Br2+H]+, 489 (45) [M+H]+, 487 (16) [C12H9O679Br3+H]+, 461 (15), 459 (48), 457 (50), 455 (16), 155 (33), 154 (94), 52 (22), 39 (35), 138 (50), 137 (88), 136 (100), 23 (22), 121 (26), 120 (25), 119 (25), 109 (36), 107 (46), 105 (31), 97 (41), 95 (67), 93 (33), 91 (62), 89 (27).
DOI: 10.14272/bdzryaktxqrgms-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) (trimethyl 2,4,6-tribromobenzene-1,3,5-tricarboxylate)
title: InChI=1S/C12H9Br3O6/c1-19-10(16)4-7(13)5(11(17)20-2)9(15)6(8(4)14)12(18)21-3/h1-3H3

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–FAB (m/z): [M + H]+ calcd for C12H10O679Br3: 486.8022; found 486.8021, HRMS–FAB (m/z): [M + H]+ calcd for C12H10O679Br181Br2: 490.7981; found 490.7983.
DOI: 10.14272/bdzryaktxqrgms-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) (trimethyl 2,4,6-tribromobenzene-1,3,5-tricarboxylate)
title: InChI=1S/C12H9Br3O6/c1-19-10(16)4-7(13)5(11(17)20-2)9(15)6(8(4)14)12(18)21-3/h1-3H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, CDCl3 [77.0 ppm], ppm) δ = 165.0 (3C), 138.3 (3C), 117.8 (3C), 53.5 (3C).
DOI: 10.14272/bdzryaktxqrgms-uhfffaoysa-n.1
title: trimethyl 2,4,6-tribromobenzene-1,3,5-tricarboxylate
title: InChI=1S/C12H9Br3O6/c1-19-10(16)4-7(13)5(11(17)20-2)9(15)6(8(4)14)12(18)21-3/h1-3H3

description: This dataset contains experimental data from a sample (trimethyl 2,4,6-tribromobenzene-1,3,5-tricarboxylate, InChI=1S/C12H9Br3O6/c1-19-10(16)4-7(13)5(11(17)20-2)9(15)6(8(4)14)12(18)21-3/h1-3H3). The datasets from the following experiments are available: 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR) fast-atom bombardment mass spectrometry (FABMS) high-resolution mass spectrometry (HRMS) infrared absorption spectroscopy (IR) elemental analysis (EA)
DOI: 10.14272/bdzryaktxqrgms-uhfffaoysa-n/chmo0001075
title: elemental analysis (EA) (trimethyl 2,4,6-tribromobenzene-1,3,5-tricarboxylate)
title: InChI=1S/C12H9Br3O6/c1-19-10(16)4-7(13)5(11(17)20-2)9(15)6(8(4)14)12(18)21-3/h1-3H3

description: dataset for elemental analysis (EA) EA (C12H9Br3O6): Calcd C 29.48 ; H 1.86. Found C 29.75 ; H 1.82.
DOI: 10.14272/mzvwxnmvepsdod-uhfffaoysa-n/chmo0000498
title: high-resolution mass spectrometry (HRMS) ()
title: InChI=1S/C21H33N3O6/c1-10(2)7-28-19(25)13-16(22)14(20(26)29-8-11(3)4)18(24)15(17(13)23)21(27)30-9-12(5)6/h10-12H,7-9,22-24H2,1-6H3

description: dataset for high-resolution mass spectrometry (HRMS) HRMS–FAB (m/z): [M + H]+ calcd for C21H33O6N3: 423.2364; found 423.2362.
DOI: 10.14272/mzvwxnmvepsdod-uhfffaoysa-n/chmo0000630
title: infrared absorption spectroscopy (IR) ()
title: InChI=1S/C21H33N3O6/c1-10(2)7-28-19(25)13-16(22)14(20(26)29-8-11(3)4)18(24)15(17(13)23)21(27)30-9-12(5)6/h10-12H,7-9,22-24H2,1-6H3

description: dataset for infrared absorption spectroscopy (IR) IR (ATR, ṽ) = 3500 (m), 3458 (m), 3394 (m), 3276 (w), 2966 (m), 2958 (m), 2928 (w), 2912 (w), 2871 (w), 1667 (s), 1629 (w), 1555 (vs), 1516 (vs), 1458 (s), 1375 (s), 1366 (s), 1303 (w), 1249 (m), 1221 (vs), 1167 (vs), 1102 (m), 1060 (vs), 997 (vs), 982 (vs), 963 (s), 949 (s), 926 (m), 912 (m), 895 (m), 856 (m), 809 (vs), 785 (m), 724 (s), 714 (m), 673 (s), 660 (s), 642 (vs), 613 (m), 586 (m), 534 (m), 487 (vs), 467 (vs), 425 (vs), 375 (vs) cm–1.
DOI: 10.14272/mzvwxnmvepsdod-uhfffaoysa-n/chmo0000563
title: fast-atom bombardment mass spectrometry (FABMS) ()
title: InChI=1S/C21H33N3O6/c1-10(2)7-28-19(25)13-16(22)14(20(26)29-8-11(3)4)18(24)15(17(13)23)21(27)30-9-12(5)6/h10-12H,7-9,22-24H2,1-6H3

description: dataset for fast-atom bombardment mass spectrometry (FABMS) MS (FAB, 3-NBA), m/z (%): 425 (16), 424 (71) [M+H]+, 423 (100) [M]+, 351 (18), 350 (80), 249 (11), 220 (18), 193 (10).
DOI: 10.14272/mzvwxnmvepsdod-uhfffaoysa-n.1
title: Tri(neo-Pentyl) 2,4,6-triaminobenzene-1,3,5-tricarboxylate
title: InChI=1S/C21H33N3O6/c1-10(2)7-28-19(25)13-16(22)14(20(26)29-8-11(3)4)18(24)15(17(13)23)21(27)30-9-12(5)6/h10-12H,7-9,22-24H2,1-6H3

description: This dataset contains experimental data from a sample (InChI=1S/C21H33N3O6/c1-10(2)7-28-19(25)13-16(22)14(20(26)29-8-11(3)4)18(24)15(17(13)23)21(27)30-9-12(5)6/h10-12H,7-9,22-24H2,1-6H3). The datasets from the following experiments are available: fast-atom bombardment mass spectrometry (FABMS) high-resolution mass spectrometry (HRMS) infrared absorption spectroscopy (IR) 1H nuclear magnetic resonance spectroscopy (1H NMR) 13C nuclear magnetic resonance spectroscopy (13C NMR)
DOI: 10.5517/ccdc.csd.cc28xgm9
title: CCDC 2112731: Experimental Crystal Structure Determination

description: Related Article: Emmanuel Puig, Raphaël Verron, Manel Kechaou-Perrot, Laure Vendier, Heinz Gornitzka, Karinne Miqueu, Jean-Marc Sotiropoulos, Cédric Fischmeister, Pierre Sutra, Alain Igau|2022|Organometallics|41|1391|doi:10.1021/acs.organomet.2c00123
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc28xgnb
title: CCDC 2112732: Experimental Crystal Structure Determination

description: Related Article: Emmanuel Puig, Raphaël Verron, Manel Kechaou-Perrot, Laure Vendier, Heinz Gornitzka, Karinne Miqueu, Jean-Marc Sotiropoulos, Cédric Fischmeister, Pierre Sutra, Alain Igau|2022|Organometallics|41|1391|doi:10.1021/acs.organomet.2c00123
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.14272/mzvwxnmvepsdod-uhfffaoysa-n/chmo0000593
title: 1H nuclear magnetic resonance spectroscopy (1H NMR) ()
title: InChI=1S/C21H33N3O6/c1-10(2)7-28-19(25)13-16(22)14(20(26)29-8-11(3)4)18(24)15(17(13)23)21(27)30-9-12(5)6/h10-12H,7-9,22-24H2,1-6H3

description: dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR) 1H NMR (400 MHz, CDCl3): δ [ppm] = 8.86 (s, 6H, NH2), 4.11 (d, J = 6.8 Hz, 6H, CH2), 2.15–2.02 (m, 3H, CH), 1.02 (d, J = 6.8 Hz, 18H, CH3).
DOI: 10.5517/ccdc.csd.cc28xgpc
title: CCDC 2112733: Experimental Crystal Structure Determination

description: Related Article: Emmanuel Puig, Raphaël Verron, Manel Kechaou-Perrot, Laure Vendier, Heinz Gornitzka, Karinne Miqueu, Jean-Marc Sotiropoulos, Cédric Fischmeister, Pierre Sutra, Alain Igau|2022|Organometallics|41|1391|doi:10.1021/acs.organomet.2c00123
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.14272/mzvwxnmvepsdod-uhfffaoysa-n/chmo0000595
title: 13C nuclear magnetic resonance spectroscopy (13C NMR) ()
title: InChI=1S/C21H33N3O6/c1-10(2)7-28-19(25)13-16(22)14(20(26)29-8-11(3)4)18(24)15(17(13)23)21(27)30-9-12(5)6/h10-12H,7-9,22-24H2,1-6H3

description: dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR) 13C NMR (100 MHz, Chloroform-d): δ [ppm] = 169.0 (3C), 159.4 (3C), 86.7 (3C), 70.8 (3C), 27.8 (3C), 19.4 (6C).
DOI: 10.5517/ccdc.csd.cc28xgqd
title: CCDC 2112734: Experimental Crystal Structure Determination

description: Related Article: Emmanuel Puig, Raphaël Verron, Manel Kechaou-Perrot, Laure Vendier, Heinz Gornitzka, Karinne Miqueu, Jean-Marc Sotiropoulos, Cédric Fischmeister, Pierre Sutra, Alain Igau|2022|Organometallics|41|1391|doi:10.1021/acs.organomet.2c00123
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc28xgrf
title: CCDC 2112735: Experimental Crystal Structure Determination

description: Related Article: Emmanuel Puig, Raphaël Verron, Manel Kechaou-Perrot, Laure Vendier, Heinz Gornitzka, Karinne Miqueu, Jean-Marc Sotiropoulos, Cédric Fischmeister, Pierre Sutra, Alain Igau|2022|Organometallics|41|1391|doi:10.1021/acs.organomet.2c00123
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc28xgsg
title: CCDC 2112736: Experimental Crystal Structure Determination

description: Related Article: Emmanuel Puig, Raphaël Verron, Manel Kechaou-Perrot, Laure Vendier, Heinz Gornitzka, Karinne Miqueu, Jean-Marc Sotiropoulos, Cédric Fischmeister, Pierre Sutra, Alain Igau|2022|Organometallics|41|1391|doi:10.1021/acs.organomet.2c00123
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc28xgth
title: CCDC 2112737: Experimental Crystal Structure Determination

description: Related Article: Emmanuel Puig, Raphaël Verron, Manel Kechaou-Perrot, Laure Vendier, Heinz Gornitzka, Karinne Miqueu, Jean-Marc Sotiropoulos, Cédric Fischmeister, Pierre Sutra, Alain Igau|2022|Organometallics|41|1391|doi:10.1021/acs.organomet.2c00123
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.