Crystallography Open Database

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1526818 CIFCo Mo O6 TeP 21 21 25.2545; 5.0653; 8.8589
90; 90; 90		235.785Laligant, Y.
X-ray and TEM studies of Cd Te Mo O6 and Co Te Mo O6: a new superstructure of fluorite type with cation and anion deficiencies ((vac) Co Te Mo) ((vac)2 O6)
Journal of Solid State Chemistry, 2001, 160, 401-408
1528523 CIFCl0.5 Eu H4.1 O3.3P 21 21 212.9152; 7.3761; 8.7016
90; 90; 90		828.948Geng Fengxia; Sasaki, T.; Xin Hao; Ma Renzhi; Matsushita, Y.; Tanaka, M.; Iyi, N.; Izumi, F.
New layered rare-earth hydroxides with anion-exchange properties
Chemistry - A European Journal, 2008, 14, 9255-9260
1529291 CIFC164 H98 Cl6 O12 P4P 21 21 221.98; 17.101; 17.472
90; 90; 90		6567Yamamura, Masaki; Hongo, Daigo; Nabeshima, Tatsuya
Twofold fused concave hosts containing two phosphorus atoms: modules for the sandwich-type encapsulation of fullerenes in variable cavities
Chem. Sci., 2015, 6, 6373
1529875 CIFC20 H20 O7P 21 21 26.8018; 20.5957; 12.4023
90; 90; 90		1737.41Zhao, Ming; Onakpa, Monday M.; Santarsiero, Bernard D.; Huang, Xiao-Jun; Zhang, Xiao-Qi; Chen, Jia; Cheng, Jian-Jun; Longnecker, Richard; Che, Chun-Tao
Icacinlactone H and Icacintrichantholide from the Tuber of Icacina trichantha.
Organic letters, 2015, 17, 3834-3837
1533197 CIFBi RbP 21 21 211.235; 7.639; 6.515
90; 90; 90		559.144Galdecki, Z.; Glovka, M.L.
Refinement of Parameters of Light Atoms in Presence of Heavy Atoms Exemplified by Rubidium Tetrathiocyanatobismuthate(III)
Polish Journal of Chemistry, 1978, 52, 787-791
1534120 CIFC48 H52 N4 O9P 21 21 214.958; 25.526; 11.093
90; 90; 90		4235.5Bharitkar, Yogesh P.; Das, Mohua; Kumari, Neha; Kumari, M. Padma; Hazra, Abhijit; Bhayye, Sagar S.; Natarajan, Ramalingam; Shah, Siddharth; Chatterjee, Sourav; Mondal, Nirup B.
Synthesis of Bis-pyrrolizidine-Fused Dispiro-oxindole Analogues of Curcumin via One-Pot Azomethine Ylide Cycloaddition: Experimental and Computational Approach toward Regio- and Diastereoselection.
Organic letters, 2015, 17, 4440-4443
1535296 CIFCr7 H12 K6 O42 U4P 21 21 210.9583; 22.5819; 7.9552
90; 90; 90		1968.59Sykora, R.E.; McDaniel, S.M.; Albrecht-Schmitt, T.E.
Hydrothermal synthesis and structure of K6 ((U O2)4 (Cr O4)7) . 6H2 O: a layered uranyl chromate with a new uranyl sheet topology
Journal of Solid State Chemistry, 2004, 177, 1431-1436
1536691 CIFBr3 F10 N O4P 21 21 28.884; 15.136; 8.309
90; 90; 90		1117.3Ellern, Arkady; Boatz, Jerry A.; Christe, Karl O.; Drews, Thomas; Seppelt, Konrad
The crystal structures of ClF~3~O, BrF~3~O and [NO]^+^[BrF~4~O]^-^
Zeitschrift für anorganische und allgemeine Chemie, 2002, 628, 1991-1999
1536805 CIFEu8 Se20 Sn4P 21 21 211.99; 16.425; 8.5433
90; 90; 90		1682.48Evenson, C.R.IV.; Dorhout, P.K.
Synthesis, structural, and optical characterization of a new europium(II) tin selenide, Eu8 (Sn4 Se14) (Se3)2 with a (Sn4 Se14)(2-) building block
Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 2178-2182
1537208 CIFAl4 Ba2 H14 O27 Si6P 21 21 29.537; 9.651; 6.509
90; 90; 90		599.099Kvick, A.; Smith, J.V.
A neutron diffraction study of the zeolite edingtonite
Journal of Chemical Physics, 1983, 79, 2356-2362
1540509 CIFC24 H26 Ca N4 O14 S2P 21 21 216.355; 17.478; 5.4549
90; 90; 90		1559.3Tai, Xi-Shi; Wang, Xin
Synthesis and Crystal Structure of a 1D Chained Coordination Polymer Constructed from Ca2+ and 2-[(E)-(2-Furoylhydrazono)methyl]benzenesulfonate
Crystals, 2015, 5, 458
1542772 CIFC4 H12 K Na O10P 21 21 211.9247; 14.3066; 6.2444
90; 90; 90		1065.31Mo, Frode; Mathiesen, Ragnvald H.; Beukes, Jon Are; Vu, Khanh Minh
Rochelle salt ‒ a structural reinvestigation with improved tools. I. The high-temperature paraelectric phase at 308K
IUCrJ, 2015, 2, 19-28
1542989 CIFC28 H34 O8P 21 21 223.0058; 15.2127; 7.8037
90; 90; 90		2731.14Zhai, Ming-Ming; Qi, Feng-Ming; Li, Jie; Jiang, Chun-Xiao; Hou, Yue; Shi, Yan-Ping; Di, Duo-Long; Zhang, Ji-Wen; Wu, Quan-Xiang
Isolation of Secondary Metabolites from the Soil-Derived Fungus Clonostachys rosea YRS-06, a Biological Control Agent, and Evaluation of Antibacterial Activity.
Journal of agricultural and food chemistry, 2016, 64, 2298-2306
1543287 CIFC90 H198 K4 N2 O30 S3 Si6 U2P 21 21 227.6846; 17.5786; 14.8975
90; 90; 90		7250Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella
Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands
Chem. Sci., 2016, 7, 5846
1543362 CIFC33 H43 N O12P 21 21 227.6917; 14.8522; 8.87923
90; 90; 90		3651.87Manaviazar, Soraya; Nockemann, Peter; Hale, Karl J.
Total Synthesis of the GRP78-Downregulatory Macrolide (+)-Prunustatin A, the Immunosuppressant (+)-SW-163A, and a JBIR-04 Diastereoisomer That Confirms JBIR-04 Has Nonidentical Stereochemistry to (+)-Prunustatin A.
Organic letters, 2016, 18, 2902-2905
1543363 CIFC31 H43 N O11P 21 21 227.6917; 14.8522; 8.87923
90; 90; 90		3651.87Manaviazar, Soraya; Nockemann, Peter; Hale, Karl J.
Total Synthesis of the GRP78-Downregulatory Macrolide (+)-Prunustatin A, the Immunosuppressant (+)-SW-163A, and a JBIR-04 Diastereoisomer That Confirms JBIR-04 Has Nonidentical Stereochemistry to (+)-Prunustatin A.
Organic letters, 2016, 18, 2902-2905
1543554 CIFC26.5 H36 O7.5P 21 21 215.9092; 18.9397; 8.0829
90; 90; 90		2435.5Qi, Changxing; Bao, Jian; Wang, Jianping; Zhu, Hucheng; Xue, Yongbo; Wang, Xiaochuan; Li, Hua; Sun, Weiguang; Gao, Weixi; Lai, Yongji; Chen, Jian-Guo; Zhang, Yonghui
Asperterpenes A and B, two unprecedented meroterpenoids from Aspergillus terreus with BACE1 inhibitory activities
Chem. Sci., 2016, 7, 6563
1544226 CIFC H4 N2 OP 21 21 23.414; 7.36; 4.606
90; 90; 90		115.7Olejniczak, Anna; Ostrowska, Kinga; Katrusiak, Andrzej
H-Bond Breaking in High-Pressure Urea
The Journal of Physical Chemistry C, 2009, 113, 15761
1544668 CIFH O5 P Zn2P 21 21 28.099; 8.325; 5.966
90; 90; 90		402.25Kawahara, A.; Moritani, H.; Yamakawa, J.
LiNbO3, with anharmonic thermal vibration model
Mineralogical Journal, 1994, 17, 132-139
1545194 CIFC93.5 H186.96 N36.71 O45.36 P Pt6P 21 21 223.445; 26.734; 28.033
90; 90; 90		17570Sawada, Tomohisa; Yoshizawa, Michito; Sato, Sota; Fujita, Makoto
Minimal nucleotide duplex formation in water through enclathration in self-assembled hosts
Nature Chemistry, 2009, 1, 53
1545213 CIFC40 H49 N O6P 21 21 212.0745; 23.3538; 5.9816
90; 90; 90		1686.72Huang, Xing-Hao; Tao, Ling-Xue; Ke, Chang-Qiang; Tang, Chunping; Zhang, Hai-Yan; Ye, Yang; Lin, Li-Gen; Yao, Sheng
Taxodikaloids A and B, Two Dimeric Abietane-Type Diterpenoids from Taxodium ascendens Possessing an Oxazoline Ring Linkage.
Organic letters, 2017, 19, 556-559
1545412 CIFC19 H22 O6P 21 21 210.888; 15.8264; 9.5461
90; 90; 90		1644.96Zhao, Jin-Xin; Fan, Yao-Yue; Xu, Jin-Biao; Gan, Li-She; Xu, Cheng-Hui; Ding, Jian; Yue, Jian-Min
Diterpenoids and Lignans from Cephalotaxus fortunei.
Journal of natural products, 2017, 80, 356-362
1545744 CIFC33 H26 Cl5 D N3 O3P 21 21 216.2146; 22.561; 9.2044
90; 90; 90		3367.1Li, Nai-Kai; Zhang, Jun-Qi; Sun, Bing-Bing; Li, Hai-Yan; Wang, Xing-Wang
Chiral Diphosphine-Palladium-Catalyzed Sequential Asymmetric Double-Friedel-Crafts Alkylation and N-Hemiketalization for Spiro-polycyclic Indole Derivatives.
Organic letters, 2017, 19, 1954-1957
1545931 CIFC33 H27 Br2 Cl3 D N3 O3P 21 21 216.2687; 22.872; 9.2415
90; 90; 90		3438.7Li, Nai-Kai; Zhang, Jun-Qi; Sun, Bing-Bing; Li, Hai-Yan; Wang, Xing-Wang
Chiral Diphosphine-Palladium-Catalyzed Sequential Asymmetric Double-Friedel-Crafts Alkylation and N-Hemiketalization for Spiro-polycyclic Indole Derivatives.
Organic letters, 2017, 19, 1954-1957
1546123 CIFC10 H18 O4P 21 21 219.296; 8.0943; 6.9478
90; 90; 90		1085.16Wang, Ling-Yan; Chen, Ming-Hua; Wu, Jiang; Sun, Hua; Liu, Wei; Qu, Yu-Hong; Li, Yan-Cheng; Wu, Yu-Zhuo; Li, Rui; Zhang, Dan; Wang, Su-Juan; Lin, Sheng
Bioactive Glycosides from the Twigs of Litsea cubeba.
Journal of natural products, 2017, 80, 1808-1818
1546441 CIFC20 H32 N3 O6 PP 21 21 211.8092; 22.5105; 8.1573
90; 90; 90		2168.46Tang, Wenjun; Du, Kang; Yang, He; Guo, Pan; Feng, Liang; Xu, Guangqing; Zhou, Qing-Hai; Chung, Lung Wa
Efficient Syntheses of (-)-Crinine and (-)-Aspidospermidine, and Formal Synthesis of (-)-Minfiensine by Enantioselective Intramolecular Dearomative Cyclization
Chem. Sci., 2017
1546460 CIFC31 H46 O10P 21 21 227.622; 19.968; 5.699
90; 90; 90		3143.3Seeka, Chonticha; Prabpai, Samran; Kongsaeree, Palangpon; Tewtrakul, Supinya; Lhinhatrakool, Thitima; Sutthivaiyakit, Somyote
Anti-inflammatory 12,20-Epoxypregnane and 11,12-seco-Pregnane Glycosides from the Stems of Hoya kerrii.
Journal of natural products, 2017, 80, 1714-1724
1546780 CIFC21 H29 F O2P 21 21 212.91998; 18.73733; 7.59349
90; 90; 90		1838.28Bume, Desta Doro; Pitts, Cody Ross; Ghorbani, Fereshte; Harry, Stefan Andrew; Capilato, Joseph N.; Siegler, Maxime A.; Lectka, Thomas
Ketones as Directing Groups in Photocatalytic sp3 C-H Fluorination
Chem. Sci., 2017
1546946 CIFC45 H68 N10 O5 SP 21 21 213.8373; 35.4652; 9.5082
90; 90; 90		4666.1Pulka-Ziach, Karolina; Sęk, Sławomir
α-Helicomimetic foldamers as electron transfer mediators
Nanoscale, 2017
1547358 CIFC23 H20 N2 O5P 21 21 211.5449; 34.1483; 4.9573
90; 90; 90		1954.36Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.
Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.
Organic letters, 2017, 19, 5066-5069
1547359 CIFC23 H22 N2 O5P 21 21 211.3495; 36.3258; 4.7864
90; 90; 90		1973.34Atmuri, N. D. Prasad; Reilley, David J.; Lubell, William D.
Peptidomimetic Synthesis by Way of Diastereoselective Iodoacetoxylation and Transannular Amidation of 7-9-Membered Lactams.
Organic letters, 2017, 19, 5066-5069
1547664 CIFC29 H48 O3P 21 21 213.7185; 20.7124; 20.7597
90; 90; 90		5898.72Wang, Chao; Huo, Xiao-Kui; Luan, Zhi-Lin; Cao, Fei; Tian, Xiang-Ge; Zhao, Xin-Yu; Sun, Cheng-Peng; Feng, Lei; Ning, Jing; Zhang, Bao-Jing; Ma, Xiao-Chi
Alismanin A, a Triterpenoid with a C34 Skeleton from Alisma orientale as a Natural Agonist of Human Pregnane X Receptor.
Organic letters, 2017, 19, 5645-5648
1547668 CIFC18 H22 O2P 21 21 216.2248; 21.607; 8.7927
90; 90; 90		3082.5Kang, Houng; Lee, Young Eun; Reddy, Peddiahgari Vasu Govardhana; Dey, Sangeeta; Allen, Scott E.; Niederer, Kyle A.; Sung, Paul; Hewitt, Kirsten; Torruellas, Carilyn; Herling, Madison R.; Kozlowski, Marisa C.
Asymmetric Oxidative Coupling of Phenols and Hydroxycarbazoles.
Organic letters, 2017, 19, 5505-5508
1547778 CIFC17 H20 Br N O2 S2P 21 21 215.5091; 15.7579; 7.3886
90; 90; 90		1805.71Shimizu, Akinori; Inoue, Yoshihisa; Mori, Tadashi
A Combined Experimental and Theoretical Study on the Circular Dichroism of Staggered and Eclipsed Forms of Dimethoxy[2.2]-, [3.2]-, and [3.3]Pyridinophanes and Their Protonated Forms.
The journal of physical chemistry. A, 2017, 121, 8389-8398
1547940 CIFC22 H19 ClP 21 21 216.1056; 18.6607; 5.7399
90; 90; 90		1725.08Lim, Ngiap-Kie; Weiss, Patrick; Li, Beryl X.; McCulley, Christina H.; Hare, Stephanie R.; Bensema, Bronwyn L.; Palazzo, Teresa A.; Tantillo, Dean J.; Zhang, Haiming; Gosselin, Francis
Synthesis of Highly Stereodefined Tetrasubstituted Acyclic All-Carbon Olefins via a Syn-Elimination Approach.
Organic letters, 2017, 19, 6212-6215
1548152 CIFC26 H20 F9 N12 Na3 O4P 21 21 237.2006; 12.80126; 7.46127
90; 90; 90		3553.17Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz
Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems
The Journal of Physical Chemistry C, 2017, 121, 26713
1548329 CIFC72 H120 Au Br4 K O68P 21 21 223.7764; 14.2049; 16.3214
90; 90; 90		5512.4Zhichang Liu; Marco Frasconi; Juying Lei; Zachary J. Brown; Zhixue Zhu; Dennis Cao; Julien Iehl; Guoliang Liu; Albert C. Fahrenbach; Youssry Y. Botros; Omar K. Farha; Joseph T. Hupp; Chad A. Mirkin; J. Fraser Stoddart
Selective isolation of gold facilitated by second-sphere coordination with alpha-cyclodextrin
Nature Communications, 2013, 4, 1855
1548533 CIFC27 H41 O2 W0.5P 21 21 215.0937; 17.6924; 9.6626
90; 90; 90		2580.3Joost, Maximilian; Transue, Wesley J.; Cummins, Christopher C.
Diazomethane umpolung atop anthracene: an electrophilic methylene transfer reagent.
Chemical science, 2018, 9, 1540-1543
1548864 CIFC42.45 H36.9 Cl0.9 N O2 PP 21 21 224.2085; 16.0031; 8.8283
90; 90; 90		3420.18Ardkhean, Ruchuta; Mortimore, Mike; Paton, Robert S.; Fletcher, Stephen P.
Formation of quaternary centres by copper catalysed asymmetric conjugate addition to β-substituted cyclopentenones with the aid of a quantitative structure-selectivity relationship.
Chemical science, 2018, 9, 2628-2632
1549019 CIF
HKL
Paper		C10 H10 N2 O4 S2P 21 21 211.232; 12.283; 4.401
90; 90; 90		607.2Lynch, Will; Padgett, Clifford W.
2,2′-Disulfanediylbis(pyridine N-oxide)–hydrogen peroxide (1/1)
IUCrData, 2018, 3, x180320
1549030 CIFC15 H20 O3P 21 21 26.83018; 26.1293; 7.49108
90; 90; 90		1336.92Zhang, Chen; Wen, Ran; Ma, Xiao-Li; Zeng, Ke-Wu; Xue, Yang; Zhang, Pu-Ming; Zhao, Ming-Bo; Jiang, Yong; Liu, Guo-Qing; Tu, Peng-Fei
Nitric Oxide Inhibitory Sesquiterpenoids and Its Dimers from Artemisia freyniana.
Journal of natural products, 2018
1549716 CIFC13 H18 N2 SP 21 21 220.7206; 9.8606; 6.3486
90; 90; 90		1297.13Formica, Michele; Sorin, Geoffroy; Farley, Alistair J. M.; Díaz, Jesús; Paton, Robert S.; Dixon, Darren J.
Bifunctional iminophosphorane catalysed enantioselective sulfa-Michael addition of alkyl thiols to alkenyl benzimidazoles.
Chemical science, 2018, 9, 6969-6974
1550182 CIFC42.94 H37 F3 N2 O4.5 Ru2 SP 21 21 221.316; 29.316; 12.6238
90; 90; 90		7889Zhang, Jinlong; Zhu, Lu; Shen, Kang; Yang, Huameng; Hang, Xiaochun; Jiang, Gaoxi
Brønsted Acid-Catalyzed Aromatic Annulation of Alkoxyallenes with Naphthols: A Reaction Sequence to Larger π-Conjugated Naphthopyrans with Aggregation-Induced Emission Characters
Chemical Science, 2019
1550242 CIFC42.94 H37 F3 N2 O4.5 Ru2 SP 21 21 221.316; 29.316; 12.6238
90; 90; 90		7889Yang, Xiuxiu; Gianetti, Thomas L.; Wörle, Michael D.; van Leest, Nicolaas P.; de Bruin, Bas; Grützmacher, Hansjörg
A low-valent dinuclear ruthenium diazadiene complex catalyzes the oxidation of dihydrogen and reversible hydrogenation of quinones
Chemical Science, 2019
1550308 CIFC40 H47.5 B0.5 N2 O4.5P 21 21 219.3779; 14.5134; 13.085
90; 90; 90		3680Mandal, Swadhin K.; Sau, Samaresh Ch; Bhattacharjee, Rameswar; Hota, Pradip kumar; Vardhanapu, Pavan Kumar; vijaykumar, gonela; Govindarajan, R.; Datta, Ayan
Transforming Atmospheric CO2 into Alternative Fuels: a Metal-Free Approach under Ambient Conditions
Chemical Science, 2019
1550546 CIFC93 H114 B2 Cd2 N6 Si2P 21 21 214.733; 27.815; 11.021
90; 90; 90		4516.4Jones, Cameron; Dange, Deepak; Gair, Andrew; Jones, Dafydd; Juckel, Martin; Aldridge, Simon
Acyclic 1,2-Dimagnesioethanes/-ethene Derived from Magnesium(I) Compounds: Multipurpose Reagents for Organometallic Synthesis
Chemical Science, 2019
1550709 CIFC216.5 H304.75 F6 K N48.25 O40 P Si8P 21 21 243.3567; 43.6708; 14.0917
90; 90; 90		26681.5Shi, Xiaodong; He, Ying; Zhang, Yanbin; Wojtas, Lukasz; Ahkmedov, Novruz G.; Thai, David; Wang, Heng; Li, Xiaopeng; Guo, Hao
Construction of cross-layer linked G-octamer via conformational control: stable G-quadruplex in H-bond competitive solvent
Chemical Science, 2019
1550711 CIFC206.75 H280 N42 O42.75 Rb Si8P 21 21 243.381; 43.722; 14.181
90; 90; 90		26897Shi, Xiaodong; He, Ying; Zhang, Yanbin; Wojtas, Lukasz; Ahkmedov, Novruz G.; Thai, David; Wang, Heng; Li, Xiaopeng; Guo, Hao
Construction of cross-layer linked G-octamer via conformational control: stable G-quadruplex in H-bond competitive solvent
Chemical Science, 2019
1551532 CIFC60 H94 Cl2 N12 O11P 21 21 234.9877; 23.3809; 18.8662
90; 90; 90		15433.4ASANO, Akiko; DOI, Mitsunobu
Crystal Structure of Gramicidin S Hydrochloride at 1.1 Å Resolution
X-ray Structure Analysis Online, 2019, 35, 1
1551970 CIFC6 H8 F4 O2P 21 21 211.4368; 11.7139; 10.7701
90; 90; 90		1442.9Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan
All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane
Nature Chemistry, 2015, 7, 483-488

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