Crystallography Open Database

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1559659 CIFC25 H33 N O7P 15.93; 10.095; 10.946
70.69; 81.62; 89.86
611.1Schjelderup, Lise; Groth, Per A.; Aasen, Arne Jorgen
(R)-(‒)-1,1-Diphenyl-3-piperidinobutan-1-ol, an Anticholinergic Agent. The Crystal Structure of (R)-(‒)-1,1-Diphenyl-3-piperidiniobutan-1-ol (R,R)-tartrate
Acta Chemica Scandinavica, 1990, 44, 284-287
1559734 CIFC15 H20 Br Cl N2 O2P 14.9505; 8.582; 19.942
88.027; 85.435; 89.121
843.98Steigerwald, Daniel C.; Soltanzadeh, Bardia; Sarkar, Aritra; Morgenstern, Cecilia C.; Staples, Richard J.; Borhan, Babak
Ritter-enabled catalytic asymmetric chloroamidation of olefins.
Chemical science, 2020, 12, 1834-1842
1559815 CIFC29 H46 O4 SiP 16.44725; 10.18619; 22.76512
101.785; 91.4615; 98.5773
1444.75Huang, Qi; Suravarapu, Sankar Rao; Renaud, Philippe
A Giese reaction for electron-rich alkenes.
Chemical science, 2020, 12, 2225-2230
1560041 CIF
Paper
C20 H22 N4 O8P 17.7162; 8.9727; 16.9089
86.559; 78.838; 66.314
1051.59Rajkumar, Madhu; Desiraju, Gautam R.
Quaternary and quinary molecular solids based on structural inequivalence and combinatorial approaches: 2-nitroresorcinol and 4,6-dichlororesorcinol
IUCrJ, 2021, 8, 178-185
1560126 CIFC25 H18 O2P 18.6935; 11.1218; 12.2142
87.376; 70.785; 81.619
1103.26Yang, Chi; Wu, Tian-Rui; Li, Yan; Wu, Bing-Bing; Jin, Ruo-Xing; Hu, Duo-Duo; Li, Yuan-Bo; Bian, Kang-Jie; Wang, Xi-Sheng
Facile synthesis of axially chiral styrene-type carboxylic acids via palladium-catalyzed asymmetric C–H activation
Chemical Science, 2021, 12, 3726-3732
1560262 CIFC57 H73 Cl2 N2 O3.5 P2 RuP 116.268; 17.763; 23.082
87.715; 81.35; 66.621
6051.3León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio
A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands
Catalysis Science & Technology, 2021, 11, 2497-2511
1560266 CIFC123 H142 Cl10 F4 N4 O6 P4 Ru2P 113.3642; 15.0349; 18.4697
89.212; 76.738; 66.771
3307.09León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio
A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands
Catalysis Science & Technology, 2021, 11, 2497-2511
1560319 CIFC256 H477 N60 O72.5P 19.61; 17.037; 49.01
83.751; 88.217; 74.756
7696Lee, Jin Woo; Collins, Jennifer E.; Wendt, Karen L.; Chakrabarti, Debopam; Cichewicz, Robert H.
Leveraging Peptaibol Biosynthetic Promiscuity for Next-Generation Antiplasmodial Therapeutics.
Journal of natural products, 2021, 84, 503-517
1560434 CIFAl4 B2 Ba5 N52 Si32P 19.7879; 9.792; 12.7226
96.074; 112.33; 94.08
1113.4Yoshimura, Fumitaka; Yamane, Hisanori; Nagasako, Makoto
Synthesis and crystal structure of a new aluminum-silicon-nitride phosphor containing boron, Ba 5 B 2 Al 4 Si 32 N 52 :Eu
Journal of Solid State Chemistry, 2017, 251, 43-49
1561140 CIFC78 H92 Co3 N12 O33 P2P 113.563; 13.5719; 13.6512
93.044; 110.683; 108.354
2192.77Huo, Liangqin; Fan, Liming; Zhang, Jie; Gao, Lingling; Zhai, Lijun; Wang, Xiaoqing; Hu, Tuoping
Three novel coordination polymers based on tris(p-carboxyphenyl)phosphane oxide: Syntheses, structural characterization and magnetic properties
Journal of Solid State Chemistry, 2018, 261, 37-42
1562031 CIFC30 H26 Cu3 N3 O21.5P 17.9985; 9.7296; 10.8506
84.315; 78.168; 75.064
797.6Mizzi, Jessica E.; Staples, Richard J.; LaDuca, Robert L.
Temperature-dependent polymorphism and magnetic properties of three-dimensional copper pyromellitate coordination polymers containing 4,4′-dipyridylamine
Journal of Solid State Chemistry, 2015, 225, 222-230
1562056 CIF
HKL
Paper
C40 H54 Cl4 N4 O5P 19.5944; 12.7606; 18.0312
73.9951; 79.1246; 75.2203
2035.09Anderson, Grace I.; Bellia, Sophia; Zeller, Matthias; Hillesheim, Patrick C.; Mirjafari, Arsalan
Quinine dihydrochloride hemihydrate
IUCrData, 2021, 6, x210406
1562172 CIFC18 H24 O4P 110.0882; 11.6472; 14.4851
101.004; 106.6; 96.185
1577.07Hou, Min; Xu, Mengmeng; Yang, Baochao; He, Haibing; Gao, Shuanhu
Construction of polycyclic structures with vicinal all-carbon quaternary stereocenters <i>via</i> an enantioselective photoenolization/Diels-Alder reaction.
Chemical science, 2021, 12, 7575-7582
1562348 CIFC33.5 H40 O11.5P 111.938; 12.782; 12.925
118.386; 92.327; 114.237
1512.3Sadorn, Karoon; Saepua, Siriporn; Boonyuen, Nattawut; Choowong, Wilunda; Rachtawee, Pranee; Pittayakhajonwut, Pattama
Bioactive Dimeric Tetrahydroxanthones with 2,2'- and 4,4'-Axial Linkages from the Entomopathogenic Fungus <i>Aschersonia confluens</i>.
Journal of natural products, 2021, 84, 1149-1162
1562542 CIFC21 H32 O6P 19.8531; 10.0264; 11.2177
96.693; 102.932; 106.655
1015.23Kadir, Abdukriem; Zheng, Guijuan; Zheng, Xiaofeng; Jin, Pengfei; Maiwulanjiang, Maitinuer; Gao, Biao; Aisa, Haji Akber; Yao, Guangmin
Structurally Diverse Diterpenoids from the Roots of <i>Salvia deserta</i> Based on Nine Different Skeletal Types.
Journal of natural products, 2021, 84, 1442-1452
1562986 CIFC58 H41 Cd2 Cl2 N10 O40 P W12P 111.567; 12.931; 13.907
85.52; 80.98; 76.13
1992.7Wang, La-Mei; Fan, Yong; Wang, Yan; Xiao, Li-Na; Hu, Yang-Yang; Peng, Yu; Wang, Tie-Gang; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing
First examples of hybrids based on polyoxometalates, metal halide clusters and organic ligands
Journal of Solid State Chemistry, 2012, 191, 257-262
1563495 CIFC10 H16 N2 O28 U5 V4P 19.6981; 9.9966; 10.5523
117.194; 113.551; 92.216
802.85Jouffret, Laurent; Shao, Zhenmian; Rivenet, Murielle; Abraham, Francis
New three-dimensional inorganic frameworks based on the uranophane-type sheet in monoamine templated uranyl-vanadates
Journal of Solid State Chemistry, 2010, 183, 2290-2297
1563513 CIFC48 H24 Ce4 O26P 17.9053; 11.7211; 15.0873
111.667; 95.073; 102.134
1248.78Pizon, David; Henry, Natacha; Loiseau, Thierry; Roussel, Pascal; Abraham, Francis
Synthesis, crystal structure and thermal behavior of two hydrated forms of lanthanide phthalates Ln2(O2+C6H4‒CO2)3(H2O) (Ln=Ce, Nd) and Nd2(O2C‒C6H4‒CO2)3(H2O)3
Journal of Solid State Chemistry, 2010, 183, 1943-1948
1563515 CIFC48 H24 Nd4 O28P 17.889; 11.57; 15.105
111.54; 95.57; 101.54
1234.3Pizon, David; Henry, Natacha; Loiseau, Thierry; Roussel, Pascal; Abraham, Francis
Synthesis, crystal structure and thermal behavior of two hydrated forms of lanthanide phthalates Ln2(O2+C6H4‒CO2)3(H2O) (Ln=Ce, Nd) and Nd2(O2C‒C6H4‒CO2)3(H2O)3
Journal of Solid State Chemistry, 2010, 183, 1943-1948
1563560 CIFC15 H28 O3P 17.4494; 9.7601; 11.3665
76.475; 86.519; 67.953
744.41Varela, Kaitlyn; Arman, Hadi D.; Yoshimoto, Francis K.
Synthesis of [15,15,15-2H3]-Dihydroartemisinic Acid and Isotope Studies Support a Mixed Mechanism in the Endoperoxide Formation to Artemisinin
Journal of Natural Products, 2021
1563750 CIFC25 H29 N O3P 16.5078; 6.7349; 25.061
88.115; 87.858; 68.927
1024Wang, Fang-Xin; Yan, Jialei; Liu, Zhixin; Zhu, Tingshun; Liu, Yingguo; Ren, Shichao; Lv, Wen-Xin; Jin, Zhichao; Chi, Yonggui Robin
Assembly of Multicyclic Isoquinoline Scaffolds from Pyridines: Formal Total Synthesis of Fredericamycin A
Chemical Science, 2021
1563799 CIFC30 H28 Cl6 Cu2 N2 O12P 112.8223; 12.8239; 38.138
89.966; 89.948; 60.027
5432.4Salman, Yeşim; Barlas, Fırat Barış; Yavuz, Murat; Kaya, Kerem; Timur, Suna; Telli, Fatma Çetin
Synthesis, characterization and biological application of dinuclear Cu(II) complexes of Schiff base ligands of galactochloralose and α-chloralose
Inorganica Chimica Acta, 2018, 483, 98-105
1563979 CIFC34 H38 Cu2 N18P 18.2229; 10.5534; 11.6684
63.751; 89.079; 77.329
882.25Jana, Abhimanyu; Brandão, Paula; Mondal, Gopinath; Bera, Pradip; Santra, Ananyakumari; Jana, Atish Dipankar; Mokhamatam, Raveendra Babu; Manna, Sunil Kumar; Bhattacharyya, Nandan; Bera, Pulakesh
Synthesis, characterization, cytotoxicity effect and DNA cleavage study of symmetric dinuclear chloro and azido bridged copper(II) complexes of napthyl-pyrazole based ligand
Inorganica Chimica Acta, 2018, 482, 621-634
1564321 CIFC102.67 H88.67 Ca0.67 N25.67 O35.17 S6P 126.6387; 28.6958; 36.1958
84.231; 71.432; 87.032
26089.9Dengler, Sebastian; Mandal, Pradeep K.; Allmendinger, Lars; Douat, Céline; Huc, Ivan
Conformational interplay in hybrid peptide‒helical aromatic foldamer macrocycles
Chemical Science, 2021
1564323 CIFC58.25 H54.88 N15.62 O18.83 S3.02P 126.454; 27.9371; 30.9544
90.9437; 92.5505; 91.4316
22843.5Dengler, Sebastian; Mandal, Pradeep K.; Allmendinger, Lars; Douat, Céline; Huc, Ivan
Conformational interplay in hybrid peptide‒helical aromatic foldamer macrocycles
Chemical Science, 2021
1564531 CIFC21 H28 O6P 18.8662; 10.0457; 12.0334
84.282; 68.413; 89.829
990.99Cao, Yunfang; Tan, Xiaosheng; Al Chnani, Ali Adhab; Li, Pengkun; Shi, Zhengyi; Feng, Hao; Sun, Lingjuan; Xia, Qiangbing; Yang, Xi; Duan, Yulin; Guo, Yi; Chen, Gang; Qi, Changxing; Zhang, Yonghui
Bioassay-Guided Isolation of an Abetiane-Type Diterpenoid from <i>Prunella vulgaris</i> That Protects against Concanavalin A-Induced Autoimmune Hepatitis.
Journal of natural products, 2021, 84, 2189-2199
1564539 CIFC40 H53 N O2P 114.806; 15.4949; 17.248
111.348; 112.174; 95.359
3288.5Zhang, Hongyan; Ma, Huili; Huang, Wenbin; Gong, Wenqi; He, Zikai; Huang, Guangxi; Li, Bing Shi; Tang, Ben Zhong
Controllable room temperature phosphorescence, mechanoluminescence and polymorphism of a carbazole derivative.
Materials horizons, 2021, 8, 2816-2822
1564601 CIFC49 H69 Cl N6P 110.9057; 14.2504; 16.844
107.383; 104.681; 104.35
2263.3Hua, Bin; Ding, Yanjun; Alimi, Lukman O.; Moosa, Basem; Zhang, Gengwu; Baslyman, Walaa S.; Sessler, Jonathan; Khashab, Niveen M.
Tuning the porosity of triangular supramolecular adsorbents for superior haloalkane isomer separations
Chemical Science, 2021
1564627 CIFC32 H43 Cl2 Ir N2 O5P 17.85321; 10.98822; 20.4662
80.0645; 81.6655; 89.1459
1721.13Bandaru, Sravan K.; Thomas, Hayden P.; Saunders, Graham C.
Piano stool complexes of N-heterocyclic carbene ligands bearing a galactose-derived substituent
Inorganica Chimica Acta, 2020, 508, 119651
1564629 CIFC32.167 H43.333 Cl2.333 N2 O5 RhP 17.8667; 10.9861; 20.5635
79.89; 81.498; 89.261
1730.21Bandaru, Sravan K.; Thomas, Hayden P.; Saunders, Graham C.
Piano stool complexes of N-heterocyclic carbene ligands bearing a galactose-derived substituent
Inorganica Chimica Acta, 2020, 508, 119651
1564800 CIFC23 H31 Cl O5P 115.1437; 17.4925; 19.3925
105.337; 92.858; 113.621
4467.9Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong
Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer.
Journal of medicinal chemistry, 2021, 64, 13918-13932
1564802 CIFC23 H29 Cl O5P 16.1316; 11.209; 16.0507
90.884; 100.853; 93.813
1080.58Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong
Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer.
Journal of medicinal chemistry, 2021, 64, 13918-13932
1565111 CIFC26 H32 O10P 18.2185; 8.4465; 10.2022
112.706; 95.017; 110.165
593.06Huang, Zhong-Hui; Liang, Xiao; Li, Chan-Juan; Gu, Qiong; Ma, Xuan; Qi, Shu-Hua
Talaromynoids A-I, Highly Oxygenated Meroterpenoids from the Marine-Derived Fungus <i>Talaromyces purpureogenus</i> SCSIO 41517 and Their Lipid Accumulation Inhibitory Activities.
Journal of natural products, 2021, 84, 2727-2737
1565122 CIFC30 H28 S2P 16.0023; 8.1084; 24.3715
98.319; 94.455; 92.83
1167.9Sumitomo, Kenta; Sudo, Yuta; Kanazawa, Kiseki; Kawabata, Kohsuke; Takimiya, Kazuo
Enantiopure 2-(2-ethylhexyl)dinaphtho[2,3-<i>b</i>:2',3'-<i>f</i>]thieno[3,2-<i>b</i>]thiophenes: synthesis, single-crystal structure and a surprising lack of influence of stereoisomerism on thin-film structure and electronic properties.
Materials horizons, 2022, 9, 444-451
1565123 CIFC30 H28 S2P 16.0173; 8.1041; 24.3262
98.542; 94.452; 92.932
1167.2Sumitomo, Kenta; Sudo, Yuta; Kanazawa, Kiseki; Kawabata, Kohsuke; Takimiya, Kazuo
Enantiopure 2-(2-ethylhexyl)dinaphtho[2,3-<i>b</i>:2',3'-<i>f</i>]thieno[3,2-<i>b</i>]thiophenes: synthesis, single-crystal structure and a surprising lack of influence of stereoisomerism on thin-film structure and electronic properties.
Materials horizons, 2022, 9, 444-451
1565340 CIFC21 H14 Cl4 I N O2P 18.2099; 11.6051; 12.1577
87.954; 80.589; 89.897
1142.02Shen, Chong; Cheng, Xiang; Wei, Liang; Wang, Ruo-Qing; Wang, Chun-Jiang
Stereodivergent Synthesis via Iridium-Catalyzed Asymmetric Double Allylic Alkylation of Cyanoacetate
Chemical Science, 2021
1565422 CIFC23 H34 B10 Cl3 D N2 O3 SP 110.54; 12.1568; 14.1284
71.811; 76.438; 65.487
1553.3Cao, Hou-Ji; Wei, Xing; Sun, Fangxiang; Zhang, Xiaolei; Lu, Changsheng; Yan, Hong
Metal-catalyzed B–H acylmethylation of pyridylcarboranes: access to carborane-fused indoliziniums and quinoliziniums
Chemical Science, 2021
1565423 CIFC16 H22 B10 OP 112.097; 13.28; 13.603
70.744; 72.905; 70.884
1906Cao, Hou-Ji; Wei, Xing; Sun, Fangxiang; Zhang, Xiaolei; Lu, Changsheng; Yan, Hong
Metal-catalyzed B–H acylmethylation of pyridylcarboranes: access to carborane-fused indoliziniums and quinoliziniums
Chemical Science, 2021
1565513 CIFC20 H30 O4P 16.0177; 12.9026; 13.0816
117.122; 90.99; 92.129
902.73Qi, Jing-Jing; Zhou, Jun-Su; Zhang, Yan; Fan, Yao-Yue; Zhou, Bin; Liu, Hong-Chun; Zhao, Jin-Xin; Yue, Jian-Min
Sublyratins A-O, Labdane-Type Diterpenoids from <i>Croton sublyratus</i>.
Journal of natural products, 2021, 84, 2971-2980
1565822 CIFC23 H20 I N O2P 18.7754; 8.8984; 12.8772
99.2233; 96.0361; 91.197
986.31Dishman, Sarah N.; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.
Divergent stereochemical outcomes in the insertion of donor/donor carbenes into the C–H bonds of stereogenic centers
Chemical Science, 2022, 13, 1030-1036
1565823 CIFC33 H27 N O3P 16.3151; 11.198; 17.7567
85.4422; 85.449; 86.8128
1246.24Dishman, Sarah N.; Laconsay, Croix J.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.
Divergent stereochemical outcomes in the insertion of donor/donor carbenes into the C–H bonds of stereogenic centers
Chemical Science, 2022, 13, 1030-1036
1565825 CIF
HKL
Paper
C7 H16 O7P 16.732; 7.7574; 10.6128
82.458; 72.596; 65.476
481.13Matsumoto, Mao; Nagayama, Natsumi; Hirose, Ryo; Takeshita, Kei; Ishii, Tomohiko
Methyl α-<small>L</small>-sorboside monohydrate
IUCrData, 2021, 6, x211325
1566046 CIFC16 H19 N O3 SP 17.6588; 7.9714; 12.8907
99.211; 90.731; 99.142
766.39Iwumene, Ndidi U. N.; Moseley, Daniel. F.; Pullin, Robert D. C.; Willis, Michael C.
Diverse saturated heterocycles from a hydroacylation/conjugate addition cascade
Chemical Science, 2022, 13, 1504-1511
1566136 CIFC15 H16 N2 O3 SP 114.9664; 14.9764; 47.378
88.856; 87.71; 60.02
9191.2Jakkaraj, Sudhakar R.; Young, Victor G.; Georg, Gunda I.
Syntheses of PDE3A inhibitor ORG9935 and determination of the absolute stereochemistries of its enantiomers by X-ray crystallography
Tetrahedron, 2018, 74, 2769-2774
1566234 CIFCa0.458 Mo0.8 O8.315 U1.2P 13.9375; 11.2613; 14.195
84.4274; 112.499; 133.944
405.053Gwladys Steciuk; Radek Skoda; Jan Rohlicek; Jakub Plasil
Crystal structure of the uranyl-molybdate mineral calcurmolite Ca[(UO2)3(MoO4)2(OH)4](H2O)5 : insights from a precession electron-diffraction tomography study
Journal of GeoSciences, 2020, 65, 15-25
1566282 CIFC32 H34 O11P 17.3468; 9.587; 10.3986
71.686; 80.813; 86.65
686.37Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao
Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>.
Journal of natural products, 2022, 85, 148-161
1566283 CIFC33 H40 O14P 17.2806; 9.8268; 11.0309
85.062; 88.911; 86.614
784.83Cao, Hai-Yan; Yi, Cheng; Sun, Sen-Feng; Li, Yong; Liu, Yun-Bao
Anti-inflammatory Dimeric Tetrahydroxanthones from an Endophytic <i>Muyocopron laterale</i>.
Journal of natural products, 2022, 85, 148-161
1566357 CIFAl2 H4 O9 Si2P 15.185369; 8.997871; 7.347378
91.7552; 105.095; 89.8358
330.82Richard, D; Rendtorff, N M
Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods
Applied Clay Science, 2022, 219, 106444-106444
1566358 CIFAl2 H4 O9 Si2P 15.210756; 5.189703; 7.581904
89.3723; 72.4369; 119.963
166.073Richard, D; Rendtorff, N M
Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods
Applied Clay Science, 2022, 219, 106444-106444
1566359 CIFAl2 H4 O9 Si2P 15.162169; 5.176777; 7.781752
104.444; 98.2915; 119.884
165.438Richard, D; Rendtorff, N M
Kaolin group minerals under pressure: The study of their structural and electronic properties by DFT methods
Applied Clay Science, 2022, 219, 106444-106444

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