Crystallography Open Database

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1549383 CIFC21 H25 B F N O4 SP 1 21/c 110.5498; 19.255; 10.4914
90; 105.495; 90
2053.72Jayaraman, Arumugam; Misal Castro, Luis C.; Desrosiers, Vincent; Fontaine, Frédéric-Georges
Metal-free borylative dearomatization of indoles: exploring the divergent reactivity of aminoborane C-H borylation catalysts.
Chemical science, 2018, 9, 5057-5063
1549384 CIFC48 H78 Co Li2 Ni O18P -111.4322; 12.2773; 12.5149
103.535; 107.265; 110.653
1452.5Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V.
A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules.
Chemical science, 2018, 9, 4736-4745
1549385 CIFC48 H78 Li2 Ni2 O18P -111.408; 12.249; 12.519
103.477; 107.088; 110.797
1447.5Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V.
A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules.
Chemical science, 2018, 9, 4736-4745
1549386 CIFC48 H78 Li2 Mg1.07 Ni0.93 O18P -111.5228; 12.2661; 12.5357
103.595; 106.954; 111.073
1462.29Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V.
A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules.
Chemical science, 2018, 9, 4736-4745
1549387 CIFC48 H78 Co1.06 Li2 Mg0.94 O18P -111.5502; 12.2971; 12.5192
103.554; 107.079; 110.959
1468.06Han, Haixiang; Wei, Zheng; Barry, Matthew C.; Carozza, Jesse C.; Alkan, Melisa; Rogachev, Andrey Yu; Filatov, Alexander S.; Abakumov, Artem M.; Dikarev, Evgeny V.
A three body problem: a genuine hetero<i>tri</i>metallic molecule <i>vs.</i> a mixture of two parent hetero<i>bi</i>metallic molecules.
Chemical science, 2018, 9, 4736-4745
1549388 CIFC113 H184 O6 Si8 Ti4P 1 21/n 114.5653; 25.3532; 31.1528
90; 91.249; 90
11501.3Tsoureas, Nikolaos; Green, Jennifer C.; Cloke, F Geoffrey N; Puschmann, Horst; Roe, S. Mark; Tizzard, Graham
Trimerisation of carbon suboxide at a di-titanium centre to form a pyrone ring system.
Chemical science, 2018, 9, 5008-5014
1549389 CIFC55 H92 O2 Si4 Ti2P 1 21/n 112.9536; 22.7968; 18.9201
90; 92.537; 90
5581.6Tsoureas, Nikolaos; Green, Jennifer C.; Cloke, F Geoffrey N; Puschmann, Horst; Roe, S. Mark; Tizzard, Graham
Trimerisation of carbon suboxide at a di-titanium centre to form a pyrone ring system.
Chemical science, 2018, 9, 5008-5014
1549391 CIFC41.5 H56 Cl4 O12.5 U2P -110.683; 11.322; 11.736
67.493; 86.541; 76.417
1274Martin, Nicolas P.; Volkringer, Christophe; Henry, Natacha; Trivelli, Xavier; Stoclet, Grégory; Ikeda-Ohno, Atsushi; Loiseau, Thierry
Formation of a new type of uranium(iv) poly-oxo cluster {U<sub>38</sub>} based on a controlled release of water <i>via</i> esterification reaction.
Chemical science, 2018, 9, 5021-5032
1549392 CIFC60 H148 Cl42 O76 U38I 4/m19.6962; 19.6962; 29.9535
90; 90; 90
11620.2Martin, Nicolas P.; Volkringer, Christophe; Henry, Natacha; Trivelli, Xavier; Stoclet, Grégory; Ikeda-Ohno, Atsushi; Loiseau, Thierry
Formation of a new type of uranium(iv) poly-oxo cluster {U<sub>38</sub>} based on a controlled release of water <i>via</i> esterification reaction.
Chemical science, 2018, 9, 5021-5032
1549398 CIFC54 H84 Co I3 N6 O6 S6P 1 21 123.057; 13.6098; 23.378
90; 110.977; 90
6849.8Luu, Quang H.; Lewis, Kyle G.; Banerjee, Anik; Bhuvanesh, Nattamai; Gladysz, John A.
The robust, readily available cobalt(iii) trication [Co(NH<sub>2</sub>CHPhCHPhNH<sub>2</sub>)<sub>3</sub>]<sup>3+</sup> is a progenitor of broadly applicable chirality and prochirality sensing agents.
Chemical science, 2018, 9, 5087-5099
1549399 CIFC30 H30 N2 O3 SP 1 21/n 113.2526; 8.5485; 23.163
90; 97.46; 90
2601.9Yang, Song; Li, Quan-Zhe; Xu, Chen; Xu, Qin; Shi, Min
Rhodium-catalyzed asymmetric hydroamination and hydroindolation of keto-vinylidenecyclopropanes.
Chemical science, 2018, 9, 5074-5081
1549400 CIFC33 H32 N2 O3 SP 21 21 219.5994; 14.7775; 19.9833
90; 90; 90
2834.7Yang, Song; Li, Quan-Zhe; Xu, Chen; Xu, Qin; Shi, Min
Rhodium-catalyzed asymmetric hydroamination and hydroindolation of keto-vinylidenecyclopropanes.
Chemical science, 2018, 9, 5074-5081
1549401 CIFC30 H32 N2 O3 SP 1 21/n 114.6758; 8.1119; 22.258
90; 97.042; 90
2629.8Yang, Song; Li, Quan-Zhe; Xu, Chen; Xu, Qin; Shi, Min
Rhodium-catalyzed asymmetric hydroamination and hydroindolation of keto-vinylidenecyclopropanes.
Chemical science, 2018, 9, 5074-5081
1549403 CIFC32 H32 N6 O5F d d 229.697; 33.356; 5.4539
90; 90; 90
5402.5Xu, Lin-Lin; Wang, Xing; Ma, Biao; Yin, Ming-Xing; Lin, Hai-Xia; Dai, Hui-Xiong; Yu, Jin-Quan
Copper mediated C-H amination with oximes: en route to primary anilines.
Chemical science, 2018, 9, 5160-5164
1549404 CIFC22 H20 N4 O2P 1 21 112.646; 8.4619; 17.452
90; 90.459; 90
1867.5Xu, Lin-Lin; Wang, Xing; Ma, Biao; Yin, Ming-Xing; Lin, Hai-Xia; Dai, Hui-Xiong; Yu, Jin-Quan
Copper mediated C-H amination with oximes: en route to primary anilines.
Chemical science, 2018, 9, 5160-5164
1549405 CIFC17 H17 N O3P 1 21 17.731; 8.2071; 11.5044
90; 107.779; 90
695.08Wen, Xin; Wang, Yong; Zhang, X. Peter
Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds.
Chemical science, 2018, 9, 5082-5086
1549406 CIFC34 H51 N3 O4P 1 21/c 114.4518; 15.8358; 14.1208
90; 93.946; 90
3223.97Wen, Xin; Wang, Yong; Zhang, X. Peter
Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds.
Chemical science, 2018, 9, 5082-5086
1549407 CIFC16 H14 Cl N O2P 1 21 15.0463; 10.357; 13.2269
90; 92.007; 90
690.87Wen, Xin; Wang, Yong; Zhang, X. Peter
Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds.
Chemical science, 2018, 9, 5082-5086
1549408 CIFC112 H88 Co N8 O8C 2 2 2112.7206; 36.0918; 22.8341
90; 90; 90
10483.3Wen, Xin; Wang, Yong; Zhang, X. Peter
Enantioselective radical process for synthesis of chiral indolines by metalloradical alkylation of diverse C(sp<sup>3</sup>)-H bonds.
Chemical science, 2018, 9, 5082-5086
1549409 CIFC20 H14 Br2 F4 N4 SP 1 21/c 114.8145; 12.6491; 11.5796
90; 106.709; 90
2078.28Das, Prajwalita; Niina, Kiyoteru; Hiromura, Tomoya; Tokunaga, Etsuko; Saito, Norimichi; Shibata, Norio
An eccentric rod-like linear connection of two heterocycles: synthesis of pyridine <i>trans</i>-tetrafluoro-λ<sup>6</sup>-sulfanyl triazoles.
Chemical science, 2018, 9, 4931-4936
1549410 CIFC20 H14 Br2 F4 N4 SP 1 21/n 112.592; 7.7321; 21.336
90; 96.291; 90
2064.8Das, Prajwalita; Niina, Kiyoteru; Hiromura, Tomoya; Tokunaga, Etsuko; Saito, Norimichi; Shibata, Norio
An eccentric rod-like linear connection of two heterocycles: synthesis of pyridine <i>trans</i>-tetrafluoro-λ<sup>6</sup>-sulfanyl triazoles.
Chemical science, 2018, 9, 4931-4936
1549411 CIFC13 H12 Cl F6 N OP 1 21/c 17.6263; 16.9562; 10.843
90; 92.648; 90
1400.64Carestia, Anthony M.; Ravelli, Davide; Alexanian, Erik J.
Reagent-dictated site selectivity in intermolecular aliphatic C-H functionalizations using nitrogen-centered radicals.
Chemical science, 2018, 9, 5360-5365
1549414 CIFC11 H12 B Br F3 NP 1 21 19.1247; 11.1474; 11.9275
90; 90.442; 90
1213.2Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.
Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).
Chemical science, 2018, 9, 5191-5196
1549415 CIFC8 H8 B F4 NP 1 21/c 16.1042; 37.0556; 7.9394
90; 93.529; 90
1792.45Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.
Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).
Chemical science, 2018, 9, 5191-5196
1549416 CIFC13 H18 B F4 NP 21 21 218.4831; 8.7906; 17.8568
90; 90; 90
1331.61Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.
Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).
Chemical science, 2018, 9, 5191-5196
1549417 CIFC35.5 H39 B2 F8 N2 O0.5P 1 21/n 19.1554; 14.8171; 24.131
90; 93.931; 90
3265.82Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.
Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).
Chemical science, 2018, 9, 5191-5196
1549418 CIFC11 H14 B F4 NP 21 21 2110.8597; 11.1368; 19.408
90; 90; 90
2347.25Shiro, Tomoya; Schuhmacher, Anne; Jackl, Moritz K.; Bode, Jeffrey W.
Facile synthesis of α-aminoboronic acids from amines and potassium acyltrifluoroborates (KATs) <i>via</i> trifluoroborate-iminiums (TIMs).
Chemical science, 2018, 9, 5191-5196
1549419 CIFGa2 Ge Na2 S Se5F d d 212.987; 23.653; 7.519
90; 90; 90
2310Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong
New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.
Chemical science, 2018, 9, 5700-5708
1549420 CIFGa2 Ge Na2 Se6F d d 212.985; 23.88; 7.585
90; 90; 90
2352Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong
New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.
Chemical science, 2018, 9, 5700-5708
1549421 CIFGa2 Na2 Se6 SnF d d 213.329; 24.291; 7.621
90; 90; 90
2467.5Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong
New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.
Chemical science, 2018, 9, 5700-5708
1549422 CIFGa2 Na2 S Se5 SnF d d 213.264; 23.936; 7.514
90; 90; 90
2385.6Li, Shu-Fang; Jiang, Xiao-Ming; Fan, Yu-Hang; Liu, Bin-Wen; Zeng, Hui-Yi; Guo, Guo-Cong
New strategy for designing promising mid-infrared nonlinear optical materials: narrowing the band gap for large nonlinear optical efficiencies and reducing the thermal effect for a high laser-induced damage threshold.
Chemical science, 2018, 9, 5700-5708
1549423 CIFC18 H17 N Na O5P 6320.8091; 20.8091; 6.5883
90; 90; 120
2470.6Engstrom, Jordan R.; Savyasachi, Aramballi J.; Parhizkar, Marzieh; Sutti, Alessandra; Hawes, Chris S.; White, Jonathan M.; Gunnlaugsson, Thorfinnur; Pfeffer, Frederick M.
Norbornene chaotropic salts as low molecular mass ionic organogelators (LMIOGs).
Chemical science, 2018, 9, 5233-5241
1549424 CIFC18 H17 N Na O5P 6320.7637; 20.7637; 6.5915
90; 90; 120
2461.07Engstrom, Jordan R.; Savyasachi, Aramballi J.; Parhizkar, Marzieh; Sutti, Alessandra; Hawes, Chris S.; White, Jonathan M.; Gunnlaugsson, Thorfinnur; Pfeffer, Frederick M.
Norbornene chaotropic salts as low molecular mass ionic organogelators (LMIOGs).
Chemical science, 2018, 9, 5233-5241
1549425 CIFC26 H40 N2 O6P 18.8976; 9.7399; 15.4155
93.972; 99.602; 107.215
1248.19Engstrom, Jordan R.; Savyasachi, Aramballi J.; Parhizkar, Marzieh; Sutti, Alessandra; Hawes, Chris S.; White, Jonathan M.; Gunnlaugsson, Thorfinnur; Pfeffer, Frederick M.
Norbornene chaotropic salts as low molecular mass ionic organogelators (LMIOGs).
Chemical science, 2018, 9, 5233-5241
1549426 CIFC40 H27 Cl OP -110.7657; 11.9402; 12.6973
65.614; 84.355; 71.603
1409.62Wang, Qing; Hu, Pan; Tanaka, Takayuki; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Phan, Hoa; Zeng, Wangdong; Ding, Jun; Osuka, Atsuhiro; Chi, Chunyan; Siegel, Jay; Wu, Jishan
Curved π-conjugated corannulene dimer diradicaloids.
Chemical science, 2018, 9, 5100-5105
1549427 CIFC36 H24 OP 1 21/c 110.7377; 7.2096; 30.6438
90; 97.73; 90
2350.72Wang, Qing; Hu, Pan; Tanaka, Takayuki; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Phan, Hoa; Zeng, Wangdong; Ding, Jun; Osuka, Atsuhiro; Chi, Chunyan; Siegel, Jay; Wu, Jishan
Curved π-conjugated corannulene dimer diradicaloids.
Chemical science, 2018, 9, 5100-5105
1549428 CIFC42 H28 Cl OP -17.3515; 11.2839; 19.4024
74.348; 87.386; 73.241
1483.1Wang, Qing; Hu, Pan; Tanaka, Takayuki; Gopalakrishna, Tullimilli Y.; Herng, Tun Seng; Phan, Hoa; Zeng, Wangdong; Ding, Jun; Osuka, Atsuhiro; Chi, Chunyan; Siegel, Jay; Wu, Jishan
Curved π-conjugated corannulene dimer diradicaloids.
Chemical science, 2018, 9, 5100-5105
1549430 CIFC4 H15 B11 Br6 SiP -17.628; 10.6903; 12.8641
83.21; 88.683; 73.76
1000.03Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin
Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion.
Chemical science, 2018, 9, 5600-5607
1549431 CIFC14 H19 B11 Br6 SiP b c a18.5845; 14.7047; 19.673
90; 90; 90
5376.23Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin
Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion.
Chemical science, 2018, 9, 5600-5607
1549432 CIFC19 H29 B11 Br6 Cl2 SiC 1 c 110.26054; 38.4104; 8.64061
90; 100.552; 90
3347.78Omann, Lukas; Pudasaini, Bimal; Irran, Elisabeth; Klare, Hendrik F. T.; Baik, Mu-Hyun; Oestreich, Martin
Thermodynamic <i>versus</i> kinetic control in substituent redistribution reactions of silylium ions steered by the counteranion.
Chemical science, 2018, 9, 5600-5607
1549433 CIFC8.5 H12.5 Cl1.5 I N OC 1 2/c 125.6568; 9.9841; 9.988
90; 95.639; 90
2546.15Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.
Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.
Chemical science, 2018, 9, 5295-5300
1549434 CIFC8 H12 Br N O2P -17.0213; 11.7894; 12.2156
72.797; 86.293; 89.879
963.76Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.
Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.
Chemical science, 2018, 9, 5295-5300
1549435 CIFC21 H30 N2 OP 1 21/n 114.727; 5.7756; 21.9219
90; 92.4149; 90
1862.96Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.
Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.
Chemical science, 2018, 9, 5295-5300
1549436 CIFC12 H12 I N O2P 1 21/c 112.8692; 8.4534; 11.4743
90; 99.0055; 90
1232.88Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.
Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.
Chemical science, 2018, 9, 5295-5300
1549437 CIFC13 H12 F3 IP -15.602; 8.9978; 13.3874
95.953; 98.695; 98.785
653.64Caputo, Dimitri F. J.; Arroniz, Carlos; Dürr, Alexander B; Mousseau, James J.; Stepan, Antonia F.; Mansfield, Steven J.; Anderson, Edward A.
Synthesis and applications of highly functionalized 1-halo-3-substituted bicyclo[1.1.1]pentanes.
Chemical science, 2018, 9, 5295-5300
1549438 CIFC15 H16 O2P 1 21 18.6189; 8.0477; 8.6853
90; 101.24; 90
590.88Jurberg, Igor D.; Davies, Huw M. L.
Blue light-promoted photolysis of aryldiazoacetates.
Chemical science, 2018, 9, 5112-5118
1549450 CIFC12 H24 Co N7 O9R 3 c :H19.835; 19.835; 29.0373
90; 90; 120
9893.5Xu, Song; Ashley, Daniel C.; Kwon, Hyuk-Yong; Ware, Gabrielle R.; Chen, Chun-Hsing; Losovyj, Yaroslav; Gao, Xinfeng; Jakubikova, Elena; Smith, Jeremy M.
A flexible, redox-active macrocycle enables the electrocatalytic reduction of nitrate to ammonia by a cobalt complex.
Chemical science, 2018, 9, 4950-4958
1549451 CIFC14 H27 Br3 Co N5P 1 21/c 19.9394; 9.5494; 21.4604
90; 90.9342; 90
2036.65Xu, Song; Ashley, Daniel C.; Kwon, Hyuk-Yong; Ware, Gabrielle R.; Chen, Chun-Hsing; Losovyj, Yaroslav; Gao, Xinfeng; Jakubikova, Elena; Smith, Jeremy M.
A flexible, redox-active macrocycle enables the electrocatalytic reduction of nitrate to ammonia by a cobalt complex.
Chemical science, 2018, 9, 4950-4958
1549452 CIFC42 H36 N2 O4P -18.8034; 9.6631; 10.5046
102.117; 107.299; 102.283
797.12Sharber, Seth A.; Shih, Kuo-Chih; Mann, Arielle; Frausto, Fanny; Haas, Terry E.; Nieh, Mu-Ping; Thomas, Samuel W.
Reversible mechanofluorochromism of aniline-terminated phenylene ethynylenes.
Chemical science, 2018, 9, 5415-5426
1549453 CIFC46 H34 F10 N2 O4P -17.6139; 10.1143; 12.847
95.814; 92.348; 93.463
981.35Sharber, Seth A.; Shih, Kuo-Chih; Mann, Arielle; Frausto, Fanny; Haas, Terry E.; Nieh, Mu-Ping; Thomas, Samuel W.
Reversible mechanofluorochromism of aniline-terminated phenylene ethynylenes.
Chemical science, 2018, 9, 5415-5426

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