Crystallography Open Database

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1502908 CIFC36 H37 Ag Fe N3 O3 P SP 4312.266; 12.266; 23.225
90; 90; 90		3494.3Oura, Ichiro; Shimizu, Kenta; Ogata, Kenichi; Fukuzawa, Shin-Ichi
Highly endo-selective and enantioselective 1,3-dipolar cycloaddition of azomethine ylide with alpha-enones catalyzed by a silver(I)/ThioClickFerrophos complex.
Organic letters, 2010, 12, 1752-1755
1503084 CIFC32 H50 N2 O4P 438.2499; 8.2499; 42.596
90; 90; 90		2899.1Yang, Yu-Rong; Lai, Zeng-Wei; Shen, Liang; Huang, Jiu-Zhong; Wu, Xing-De; Yin, Jun-Lin; Wei, Kun
Total synthesis of (-)-8-deoxyserratinine via an efficient Helquist annulation and double N-alkylation reaction.
Organic letters, 2010, 12, 3430-3433
1503622 CIFC17 H13 Cl O2 SP 4310.964; 10.964; 13.249
90; 90; 90		1592.7Ling, Jun-Bing; Su, Yu; Zhu, Hai-Liang; Wang, Guan-Yu; Xu, Peng-Fei
Hydrogen-bond-mediated cascade reaction involving chalcones: facile synthesis of enantioenriched trisubstituted tetrahydrothiophenes.
Organic letters, 2012, 14, 1090-1093
1506114 CIFC20 H27 N O5P 438.4416; 8.4416; 24.5449
90; 90; 90		1749.08Chen, Peiling; Chen, Yanping; Carroll, Patrick J.; Sieburth, Scott McN
Novel reaction pathways for 2-pyridone [4+4] photoadducts.
Organic letters, 2006, 8, 3367-3370
1506703 CIFC17 H22 O3 S2P 4310.0518; 10.0518; 16.5499
90; 90; 90		1672.18Wedel, Tobias; Podlech, Joachim
Enolate addition to a 2-alkylidene[1,3]dithiane-derived bissulfoxide. A new a(2)-acceptor.
Organic letters, 2005, 7, 4013-4015
1507891 CIFC21 H13 NP 439.1152; 9.1152; 36.0783
90; 90; 90		2997.63Tnay, Ya Lin; Chen, Cheng; Chua, Yi Yuan; Zhang, Line; Chiba, Shunsuke
Copper-catalyzed aerobic spirocyclization of biaryl-N-H-imines via 1,4-aminooxygenation of benzene rings.
Organic letters, 2012, 14, 3550-3553
1508797 CIFC27 H22 Cl N O4P 4312.7827; 12.7827; 13.7419
90; 90; 90		2245.4He, Zhaolin; Liu, Tanglin; Tao, Haiyan; Wang, Chun-Jiang
A Facile Access to Enantioenriched Isoindolines via One-Pot Sequential Cu(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition/Aromatization.
Organic letters, 2012, 14, 6230-6233
1508904 CIFC32 H31 N O7P 4310.3793; 10.3793; 25.352
90; 90; 90		2731.17Kim, U. Bin; Furkert, Daniel P.; Brimble, Margaret A.
Total synthesis of chaetoquadrins a-C.
Organic letters, 2013, 15, 658-661
1513071 CIFC14 H14 N2 O4P 4314.323; 14.323; 26.922
90; 90; 90		5523Ivanova, Bojidarka; Spiteller, Michael
Organic mandelates as promising materials with non-linear optical application
Structural Chemistry, 2010, 21, 989
1517867 CIFC27 H22 Cl N O4P 4312.7827; 12.7827; 13.7419
90; 90; 90		2245.4He, Zhao-Lin; Liu, Tang-Lin; Tao, Haiyan; Wang, Chun-Jiang
Correction to A Facile Access to Enantioenriched Isoindolines via One-Pot Sequential Cu(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition/Oxidation.
Organic letters, 2014, 16, 5506-5507
1519023 CIFBa5 F19 In3P 4314.983; 14.983; 15.54
90; 90; 90		3488.6de Kozak, A.; Dupont, N.; Gredin, P.; Riou, D.
The crystal structure of Ba5In3F19 : a new structural type in fluoride crystal chemistry
Solid State Sciences, 1999, 1, 409-419
1519611 CIFC12 H15 F N6 O4P 437.3545; 7.3545; 27.835
90; 90; 90		1505.6Yang, Qinghua; Kang, Jinfeng; Zheng, Liyun; Wang, Xue-Jun; Wan, Na; Wu, Jie; Qiao, Yan; Niu, Pengfei; Wang, Sheng-Qi; Peng, Youmei; Wang, Qingduan; Yu, Wenquan; Chang, Junbiao
Synthesis and biological evaluation of 4-substituted fluoronucleoside analogs for the treatment of hepatitis B virus infection.
Journal of medicinal chemistry, 2015, 58, 3693-3703
1519856 CIFC18 H24 N5 O2 P3 S2P 4311.5009; 11.5009; 16.7834
90; 90; 90		2219.95Besli, S.; Kilic, A.; Davies, David B.; Coles, Simon J.; Coles, Simon J.; Hursthouse, Michael B.
C18H24N5O2P3S2
Crystal Structure Report Archive, 2007, 286
1520585 CIFC32 H48 Hf N2 O4P 4310.3884; 10.3884; 28.732
90; 90; 90		3100.72Jones, Matthew D.; Brady, Lauren; McKeown, Paul; Buchard, Antoine; Schäfer, Pascal M.; Thomas, Lynne H.; Mahon, Mary F.; Woodman, Timothy J.; Lowe, John P.
Metal influence on the iso- and hetero-selectivity of complexes of bipyrrolidine derived salan ligands for the polymerisation of rac-lactide
Chem. Sci., 2015, 6, 5034
1535317 CIFBi4 In2.67 K4.67P 439.703; 9.703; 17.519
90; 90; 90		1649.38Bobev, S.; Sevov, S.C.
Five Ternary Zintl Phases in the Systems Alkali-Metal Indium Bismuth
Journal of Solid State Chemistry, 2001, 163, 436-448
1543601 CIFC22 H28 O8 SP 4310.019; 10.019; 42.875
90; 90; 90		4304de Castro, Marcos V.; Ióca, Laura P; Williams, David E.; Costa, Bruna Z.; Mizuno, Carolina M.; Santos, Mario F. C.; de Jesus, Karen; Ferreira, Éverton L F; Seleghim, Mirna H. R.; Sette, Lara D.; Pereira Filho, Edenir R.; Ferreira, Antonio G.; Gonçalves, Natália S; Santos, Raquel A.; Patrick, Brian O.; Andersen, Raymond J.; Berlinck, Roberto G. S.
Condensation of Macrocyclic Polyketides Produced by Penicillium sp. DRF2 with Mercaptopyruvate Represents a New Fungal Detoxification Pathway.
Journal of natural products, 2016, 79, 1668-1678
1544824 CIFC66 H52 Cl12 N2 O4P 4313.9364; 13.9364; 34.5285
90; 90; 90		6706.24Nagarajan, Kalaivanan; Mallia, Ajith R.; Muraleedharan, Keerthi; Hariharan, Mahesh
Enhanced intersystem crossing in core-twisted aromatics
Chem. Sci., 2017, 8, 1776
1544958 CIFC18 H30 N2 O5P 4310.0307; 10.0307; 19.782
90; 90; 90		1990.4Song, Qiu-Yan; Yu, Hai-Tao; Zhang, Xing-Xu; Nan, Zhi-Biao; Gao, Kun
Dahurelmusin A, a Hybrid Peptide-Polyketide from Elymus dahuricus Infected by the Epichloë bromicola Endophyte.
Organic letters, 2016
1545489 CIF
HKL		C9 H3 Cl9P 439.5435; 9.5435; 15.9424
90; 90; 90		1452.01Tober, Natalie; Schollmeyer, Dieter; Detert, Heiner
1,3,5-Trichloro-2,4,6-tris(dichloromethyl)benzene
IUCrData, 2017, 2, x170227
1547176 CIFC17 H13 Br N2 O2P 4314.4914; 14.4914; 14.4935
90; 90; 90		3043.64Meninno, Sara; Roselli, Angelo; Capobianco, Amedeo; Overgaard, Jacob; Lattanzi, Alessandra
Diastereodivergent and Enantioselective Access to Spiroepoxides via Organocatalytic Epoxidation of Unsaturated Pyrazolones.
Organic letters, 2017, 19, 5030-5033
1548132 CIFC44 H42 MnP 4310.52378; 10.52378; 30.7376
90; 90; 90		3404.19Sharpe, Helen R.; Geer, Ana M.; Blundell, Toby J.; Hastings, Fiona R.; Fay, Michael W.; Rance, Graham A.; Lewis, William; Blake, Alexander J.; Kays, Deborah L.
Dehydrocoupling of dimethylamine‒borane promoted by manganese(ii) m-terphenyl complexes
Catalysis Science & Technology, 2018, 8, 229
1548199 CIFC41.5 H31 F12 N7 P2 RuP 4325.5802; 25.5802; 12.5709
90; 90; 90		8225.73Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su
Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules
Nature Communications, 2016, 7, 10487
1550082 CIF
HKL
Paper		C19 H28 Cl N3 O5P 438.5308; 8.5308; 31.893
90; 90; 90		2321Rasheeda, Kedila; Samshuddin, Seranthimata; Swathi, Phadke N.; Alva, Vijaya D. P.; Mague, Joel T.; Ramli, Youssef
Diethyl 4-(4-chloro-2-propyl-1<i>H</i>-imidazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate monohydrate
IUCrData, 2018, 3, x181470
1551465 CIFC48 H38 Cl N O4 P2 SiP 4310.425; 10.425; 37.648
90; 90; 90		4091.6Hartmann, Deborah; Schädler, Marcel; Greb, Lutz
Bis(catecholato)silanes: assessment, rationale and increase of silicon’s Lewis superacidity
Chemical Science, 2019
1555077 CIFC30 H22 Cl2 N4 O12P 4310.6627; 10.6627; 29.5381
90; 90; 90		3358.3Pop, Lidia; Dumitru, Florina; Hădade, Niculina D; Legrand, Yves-Marie; van der Lee, Arie; Barboiu, Mihail; Grosu, Ion
Exclusive Hydrophobic Self-Assembly of Adaptive Solid-State Networks of Octasubstituted 9,9'-Spirobifluorenes.
Organic letters, 2015, 17, 3494-3497
1555211 CIFC65 H65 Cl3 N4 O6 ZnP 4318.5406; 18.5406; 21.1268
90; 90; 90		7262.4Zhou, Zaichun; Zhou, Xiaochun; Liu, Qiuhua; Zhang, Xi; Liu, Haomin
Fixation of Zinc(II) Ion to Dioxygen in a Highly Deformed Porphyrin: Implications for the Oxygen Carrier Mechanism of Distorted Heme.
Organic letters, 2015, 17, 4078-4081
1555373 CIFC16 H13 N O2 SP 4310.7582; 10.7582; 11.4283
90; 90; 90		1322.7Osborne, Charlotte A.; Endean, Thomas B. D.; Jarvo, Elizabeth R.
Silver-Catalyzed Enantioselective Propargylation Reactions of N-Sulfonylketimines.
Organic letters, 2015, 17, 5340-5343
1555993 CIFC21 H13 F N2P 4311.1632; 11.1632; 12.0079
90; 90; 90		1496.4Fan, Ling; Liu, Meilin; Ye, Yu; Yin, Guodong
Synthesis of 6-Substituted 6H-Indolo[2,3-b]quinolines from Isoindigos.
Organic letters, 2017, 19, 186-189
1556252 CIFC19 H17 N5 O2P 4316.8981; 16.8981; 11.9461
90; 90; 90		3411.16Su, Xin; Aprahamian, Ivan
Zinc(II)-regulation of hydrazone switch isomerization kinetics.
Organic letters, 2013, 15, 5952-5955
1558051 CIFC15 H12 N4P 4318.3126; 18.3126; 15.7252
90; 90; 90		5273.5Horiuchi, Sachio; Ishibashi, Shoji; Haruki, Rie; Kumai, Reiji; Inada, Satoshi; Aoyagi, Shigenobu
Metaelectric multiphase transitions in a highly polarizable molecular crystal.
Chemical science, 2020, 11, 6183-6192
1559335 CIFC59 H77 N2 Na O7P 439.8142; 9.8142; 54.0271
90; 90; 90		5203.8Gruszka, Weronika; Lykkeberg, Anna; Nichol, Gary S.; Shaver, Michael P.; Buchard, Antoine; Garden, Jennifer A.
Combining alkali metals and zinc to harness heterometallic cooperativity in cyclic ester ring-opening polymerisation
Chemical Science, 2020
1559628 CIFC33 H28 F6 N2 O2 S2P 4313.253; 13.253; 19.0733
90; 90; 90		3350.1Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo
Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism
Chemical Science, 2020, 11, 12307-12315
1560412 CIFC24 H16 Eu N3 O9 ZnP 4312.2456; 12.2456; 15.208
90; 90; 90		2280.5Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming
Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties
Journal of Solid State Chemistry, 2017, 253, 360-366
1560415 CIFC24 H16 Ho N3 O9 ZnP 4312.222; 12.222; 15.0661
90; 90; 90		2250.5Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming
Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties
Journal of Solid State Chemistry, 2017, 253, 360-366
1560416 CIFC24 H16 Er N3 O9 ZnP 4312.1929; 12.1929; 15.0143
90; 90; 90		2232.13Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming
Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties
Journal of Solid State Chemistry, 2017, 253, 360-366
1560417 CIFC24 H16 N3 O9 Tm ZnP 4312.2125; 12.2125; 15.0593
90; 90; 90		2246.02Zhang, Xiaolei; Chen, Chen; Liu, Xiaoli; Gao, Peng; Hu, Ming
Series of chiral interpenetrating 3d‒4f heterometallic MOFs: Luminescent sensors and magnetic properties
Journal of Solid State Chemistry, 2017, 253, 360-366
1560436 CIF
HKL
Paper		C13 H10 O2P 437.4781; 7.4781; 33.0219
90; 90; 90		1846.65Kotha, Sambasivarao; Fatma, Ambareen; Ansari, Saima
2,3-Dihydro-1<i>H</i>-cyclopenta[<i>b</i>]naphthalene-4,9-dione
IUCrData, 2021, 6, x210167
1562699 CIFC20 H24 N12 O12 Pb2P 4313.1297; 13.1297; 16.7858
90; 90; 90		2893.69Liu, Jin-jian; Liu, Zu-Liang; Cheng, Jian; Fang, Dong
Synthesis, crystal structure and catalytic effect on thermal decomposition of RDX and AP: An energetic coordination polymer [Pb2(C5H3N5O5)2(NMP)·NMP]
Journal of Solid State Chemistry, 2013, 200, 43-48
1564046 CIFC13 H19 N2 Na O4P 4310.7365; 10.7365; 12.6548
90; 90; 90		1458.7Caballero, Pedro; Colodrero, Rosario M.P.; Conejo, María del Mar; Pastor, Antonio; Álvarez, Eleuterio; Montilla, Francisco; Carrasco, Carlos J.; Nicasio, Antonio I.; Galindo, Agustín
Homochiral imidazolium-based dicarboxylate compounds: Structure and solution behaviour
Inorganica Chimica Acta, 2020, 513, 119923
1564047 CIFC13 H23 N3 O4P 4311.1555; 11.1555; 12.526
90; 90; 90		1558.8Caballero, Pedro; Colodrero, Rosario M.P.; Conejo, María del Mar; Pastor, Antonio; Álvarez, Eleuterio; Montilla, Francisco; Carrasco, Carlos J.; Nicasio, Antonio I.; Galindo, Agustín
Homochiral imidazolium-based dicarboxylate compounds: Structure and solution behaviour
Inorganica Chimica Acta, 2020, 513, 119923
1564839 CIFC29 H40 B Br N P2 RhP 4311.2163; 11.2163; 22.862
90; 90; 90		2876.2Cao, Yihan; Shih, Wei-Chun; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.
Cooperative C-H Activation of Pyridine by PBP Complexes of Rh and Ir Can Lead to Bridging 2-Pyridyls with Different Connectivity to the B-M Unit
Chemical Science, 2021
1566063 CIFC20 H17 N3 O4 ZnP 439.102; 9.102; 24.6
90; 90; 90		2038Wan, Xiaoyu; Zhang, Yifan; Wang, Huaiwei; Lu, Jing; Li, Dacheng; Dou, Jianmin; Li, Yunwu; Wang, Suna
One amino-functionalized luminescence sensor demonstrating high sensitivity and selectivity for detecting Al3+ and Cu2+ as well as its luminescent mixed matrix membranes and test papers
Journal of Solid State Chemistry, 2022, 305, 122705
1569694 CIFC36 H34 N4 O3P 4311.977; 11.977; 42.045
90; 90; 90		6031Hao, Yu; Li, Zi-Hao; Ma, Zhi-Gang; Liu, Ru-Xin; Ge, Rui-Tian; Li, Quan-Zhe; Ding, Tong-Mei; Zhang, Shu-Yu
Axially chiral styrene-based organocatalysts and their application in asymmetric cascade Michael/cyclization reaction.
Chemical science, 2023, 14, 9496-9502
1570260 CIFC15 H20 O4P 4313.0969; 13.0969; 8.2344
90; 90; 90		1412.44Zheng, Cheng-Yu; Zhao, Jin-Xin; Yuan, Chang-Hao; Peng, Xia; Geng, Meiyu; Ai, Jing; Fan, Yao-Yue; Yue, Jian-Min
Unprecedented sesterterpenoids, orientanoids A-C: discovery, bioinspired total synthesis and antitumor immunity.
Chemical science, 2023, 14, 13410-13418
2001565 CIF
Paper		C25 H34 Cu N6 O8 SP 439.264; 9.264; 35.503
90; 90; 90		3046.9Fritsky, I. O.; Lampeka, R. D.; Kravtsov, V. Kh.; Simonov, Y. A.
Structure of <i>catena</i>-poly[tris(pyridine)copper-μ-{<i>N</i>-(2-hydroxyiminopropionyl)-<small>L</small>-methioninato(1‒)-<i>O</i>'',<i>N</i>':<i>O</i>}] nitrate ethanol solvate
Acta Crystallographica Section C, 1993, 49, 1041-1044
2001867 CIF
Paper		C21 H21 N O6P 437.542; 7.542; 33.266
90; 90; 90		1892.2Rajnikant; Goswami, K. N.; Yadava, V. S.; Padmanabhan, V. M.; Banerjee, S. K.
Structure of (–)-β-hydrastine
Acta Crystallographica Section C, 1993, 49, 504-506
2003816 CIF
Paper		C21 H33 Cl N2 O2P 4317.224; 17.224; 7.416
90; 90; 90		2200.1Ianelli, S.; Nardelli, M.; Fraire, C.; Grancini, G.; Napoletano, M.; Santangelo, F.
Three Stereoisomers of a Novel and Selective μ-Opioid Analgesic
Acta Crystallographica Section C, 1995, 51, 1675-1680
2006181 CIF
HKL
Paper		C40 H32 F12 N7 O0.5 P2 RuP 4325.372; 25.372; 12.726
90; 90; 90		8192.2Maloney, David J.; MacDonnell, Frederick M.
Λ-Tris(1,10-phenanthroline-<i>N</i>,<i>N</i>')ruthenium(II) Bis(hexafluorophosphate)‒Acetonitrile‒Diethyl Ether (1/1/0.5)
Acta Crystallographica Section C, 1997, 53, 705-707
2006538 CIF
Paper		C14 H18 N2 O SP 438.985; 8.985; 17.1652
90; 90; 90		1385.75Kubicki, Maciej; Szkaradzińska, Maria B.; Codding, Penelope W.
(11<i>R</i>,11a<i>S</i>-<i>trans</i>)-11-Ethylthio-2,3,5,10,11,11a-hexahydro-1<i>H</i>-pyrrolo[2,1-<i>c</i>][1,4]benzodiazepin-5-one
Acta Crystallographica Section C, 1997, 53, 1288-1290
2007120 CIF
Paper		C15 H18 O3P 439.5229; 9.5229; 14.736
90; 90; 90		1336.3Parvez, Masood; Kulanthaivel, Palaniappan; Benn, Michael H.
<i>O</i>-Methyldehydronorcacalol
Acta Crystallographica Section C, 1998, 54, IUC9800005

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