Crystallography Open Database
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Searching space group like 'P b c a'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1519208 | CIF | C6 H8 N2 O2 S | P b c a | 14.6; 5.572; 18.483 90; 90; 90 | 1503.6 | Coles, Simon J.; Hursthouse, Michael B.; Ward, Suzanna C.; Threlfall, Terry L. 4-Amino-benzenesulfonamide Crystal Structure Report Archive, 1999, 170 |
1519216 | CIF | C6 H8 N2 O2 S | P b c a | 14.784; 5.67; 18.492 90; 90; 90 | 1550.1 | Threlfall, Terry L.; Coles, Simon J.; Ward, Suzanna C.; Hursthouse, Michael B. 4-Amino-benzenesulfonamide Crystal Structure Report Archive, 1999, 166 |
1519228 | CIF | C6 H8 N2 O2 S | P b c a | 14.784; 5.67; 18.492 90; 90; 90 | 1550.1 | Coles, Simon J.; Hursthouse, Michael B.; Ward, Suzanna C.; Threlfall, Terry L. 4-Amino-benzenesulfonamide Crystal Structure Report Archive, 1999, 173 |
1519237 | CIF | C12 H12 N2 O2 S | P b c a | 8.8098; 10.574; 24.736 90; 90; 90 | 2304.3 | Coles, Simon J.; Hursthouse, Michael B.; Mayer, Thomas A.; Threlfall, Terry L. N-(4-Methyl-1H-pyridin-2-ylidene)-benzenesulfonamide Crystal Structure Report Archive, 2000, 177 |
1519268 | CIF | C11 H15 B O2 | P b c a | 7.515; 9.3921; 30.7365 90; 90; 90 | 2169.43 | Gelbrich, Thomas; Sampson, David; Hursthouse, Michael B. (E)-5-Phenyl-pent-1-enyl-boronic acid Crystal Structure Report Archive, 2000, 528 |
1519319 | CIF | C55 H60 Cl13 N O P2 Ru2 | P b c a | 19.1002; 21.7245; 29.1929 90; 90; 90 | 12113.4 | Smith, Matin, B.; Gelbrich, Thomas; Hursthouse, Michael B. C52H57NOP2Cl4Ru2 . 3CDCl3 Crystal Structure Report Archive, 2001, 835 |
1519327 | CIF | C21 H16 O9 | P b c a | 7.4181; 16.6837; 27.9934 90; 90; 90 | 3464.5 | Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.; Subhash, P. V.; Moinuddin, S. G. A.; Kamakshi, C.; Venkateswarlu, R.; Ward, R. S.; Pelter, A. Methyl 1,2-(acetoxy-C,O)-3-hydroxy-5,6-(methylenedioxy-O,O')-3- (3,4-methylenedioxyphenyl)indan-2-carboxylate Crystal Structure Report Archive, 2001, 69 |
1519328 | CIF | C23 H24 O9 | P b c a | 14.1493; 17.3003; 17.434 90; 90; 90 | 4267.6 | Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B.; Subhash, P. V.; Moinuddin, S. G. A.; Kamakshi, C.; Venkateswarlu, R.; Ward, R. S.; Pelter, A. Methyl 1,2-(acetoxy-C,O)-3-hydroxy-5,6-dimethoxy-3-(3,4-dimethyloxyphenyl) indan-2-carboxylate Crystal Structure Report Archive, 2001, 70 |
1519396 | CIF | C32 H83 K N3 O7.5 Si6 Th | P b c a | 20.457; 20.307; 25.358 90; 90; 90 | 10534 | Smiles, Danil E.; Wu, Guang; Kaltsoyannis, Nikolas; Hayton, Trevor W. Thorium‒ligand multiple bonds via reductive deprotection of a trityl group Chem. Sci., 2015, 6, 3891 |
1519447 | CIF | C14 H13 N3 O | P b c a | 6.3542; 7.6624; 49.231 90; 90; 90 | 2397 | Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A. Structural insights into the hexamorphic system of an isoniazid derivative CrystEngComm, 2015, 17, 5143 |
1519483 | CIF | C17 H27 Fe I N2 | P b c a | 12.1886; 9.5923; 31.3227 90; 90; 90 | 3662.15 | Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B. C17H27FeIN2 Crystal Structure Report Archive, 2002, 909 |
1519488 | CIF | C30 H26 Fe N2 O3 | P b c a | 6.0816; 24.8503; 31.12 90; 90; 90 | 4703.2 | Warriner, C. N.; Denuault, G.; Gale, Phil A.; Horton, Peter N.; Light, Mark E.; Coles, Simon J.; Hursthouse, Michael B. 2-(N-Ferrocenylmethylcarbamoyl)-5-(methoxycarbonyl)-3,4-diphenylpyrrole Crystal Structure Report Archive, 2002, 25 |
1519508 | CIF | C18 H20 N4 O2 | P b c a | 10.6683; 10.8869; 29.919 90; 90; 90 | 3474.93 | Jones, Ray C.F.; Horton, Peter N.; Hursthouse, Michael B. C18H20N4O2 Crystal Structure Report Archive, 2002, 940 |
1519509 | CIF | C22 H31 F6 N5 O4 P | P b c a | 16.1973; 9.3378; 34.0104 90; 90; 90 | 5144 | Light, Mark E.; Camiolo, S.; Navakhun, K.; Gale, Phil A.; Hursthouse, Michael B. 3,4-Diphenyl-1H-pyrrole-2,5-dicarboxylic acid bis-[(2-amino-ethyl)-amide] hexafluorophosphate dihydrate Crystal Structure Report Archive, 2002, 19 |
1519518 | CIF | C24 H36 O18 Si12 | P b c a | 17.4597; 17.3538; 28.3363 90; 90; 90 | 8585.7 | Taylor, Peter G.; Horton, Peter N.; Hursthouse, Michael B. C24H36O18Si12 Crystal Structure Report Archive, 2002, 934 |
1519528 | CIF | C20 H33 Br N2 O | P b c a | 16.6539; 8.8554; 56.7289 90; 90; 90 | 8366.2 | Butts, Craig; Coles, Simon J.; Hursthouse, Michael B. C20H33BrN2O Crystal Structure Report Archive, 2002, 998 |
1519539 | CIF | C21 H21 N O2 | P b c a | 14.0392; 13.8109; 16.9908 90; 90; 90 | 3294.41 | Cunnigham, Ian; Horton, Peter N.; Hursthouse, Michael B. N-methacryloyl-N-5,6,7,8-tetrahydronaphthalen-1-ylbenzamide Crystal Structure Report Archive, 2003, 886 |
1519572 | CIF | C13 H10 F4 I2 N2 O2 S | P b c a | 21.0514; 7.0276; 24.2942 90; 90; 90 | 3594.1 | Bricklebank, Neil; Coles, Simon J.; Hursthouse, Michael B. C13H10F4I2N2O2S Crystal Structure Report Archive, 2003, 900 |
1519594 | CIF | C14 H20 O5 | P b c a | 16.4963; 8.325; 20.061 90; 90; 90 | 2755 | Rousay, Esther; Frey, Jeremy G.; Coles, Simon J.; Hursthouse, Michael B. 6,7,9,10,12,13,15,16-Octahydro-benzo-1,4,7,10,13-pentaoxacyclopentadecin Crystal Structure Report Archive, 2004, 145 |
1519632 | CIF | C15 H12 Mo O3 | P b c a | 16.6109; 8.7885; 17.8015 90; 90; 90 | 2598.75 | Graser, Lilian; Reich, Robert M.; Cokoja, Mirza; Pöthig, Alexander; Kühn, Fritz E. Aryl-substituted organomolybdenum(ii) complexes as olefin epoxidation catalysts Catal. Sci. Technol., 2015, 5, 4772 |
1519733 | CIF | C11 H15 F6 N2 P | P b c a | 9.2017; 16.0731; 18.2782 90; 90; 90 | 2703.34 | Butts, Craig; Coles, Simon J.; Hursthouse, Michael B. C11H15F6N2P Crystal Structure Report Archive, 2004, 967 |
1519750 | CIF | C16 H24 N2 Ru | P b c a | 7.747; 15.519; 25.745 90; 90; 90 | 3095 | Butler, Ian R.; Horton, Peter N.; Hursthouse, Michael B.; Coles, Simon J. C16H24N2Ru Crystal Structure Report Archive, 2005, 1103 |
1519757 | CIF | C10 H7 Br Cl2 N2 O | P b c a | 12.6226; 12.3709; 14.1124 90; 90; 90 | 2203.7 | Gurry, Michael; Sweeney, Martin; McArdle, Patrick; Aldabbagh, Fawaz One-pot hydrogen peroxide and hydrohalic Acid induced ring closure and selective aromatic halogenation to give new ring-fused benzimidazoles. Organic letters, 2015, 17, 2856-2859 |
1519761 | CIF | C11 H9 Br2 F N2 | P b c a | 14.443; 7.5861; 21.306 90; 90; 90 | 2334.4 | Gurry, Michael; Sweeney, Martin; McArdle, Patrick; Aldabbagh, Fawaz One-pot hydrogen peroxide and hydrohalic Acid induced ring closure and selective aromatic halogenation to give new ring-fused benzimidazoles. Organic letters, 2015, 17, 2856-2859 |
1519805 | CIF | C10 H9 N O S | P b c a | 14.2845; 5.4226; 22.7593 90; 90; 90 | 1762.92 | Huth, Susanne L.; Hursthouse, Michael B. (6-Thien-2-ylpyrid-3-yl)methanol Crystal Structure Report Archive, 2007, 373 |
1519806 | CIF | C20 H30 Cl N O2 S | P b c a | 13.0538; 15.5288; 19.1088 90; 90; 90 | 3873.54 | Stephenson, Richard A; Dobbs, Adrian; Hursthouse, Michael B. C20H30Cl1N1O2S1 Crystal Structure Report Archive, 2007, 388 |
1519818 | CIF | C9 H18 Cl4 N3 O2 P3 | P b c a | 11.4593; 16.8538; 19.0612 90; 90; 90 | 3681.34 | Kilic, A.; Besli, S.; Coles, Simon J.; Hursthouse, Michael B. C9H18Cl4N3O2P3 Crystal Structure Report Archive, 2007, 317 |
1519965 | CIF | C12 H28 N2 O6 | P b c a | 13.3732; 8.5025; 27.693 90; 90; 90 | 3148.9 | Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L. Di(1-butylammonium) DL-tartrate Crystal Structure Report Archive, 2008, 580 |
1519990 | CIF | C4 H8 Cl4 N3 O2 P3 | P b c a | 12.3344; 13.3334; 15.9953 90; 90; 90 | 2630.58 | Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, A.; Uslu, A. C4H8Cl4N3O2P3 Crystal Structure Report Archive, 2008, 485 |
1520042 | CIF | C26 H22 Br2 N2 O4 | P b c a | 11.755; 20.78; 21.031 90; 90; 90 | 5137 | Zhu, Qiuhua; Zhang, Yilin; Nie, Han; Zhao, Zujin; Liu, Shuwen; Wong, Kam Sing; Tang, Ben Zhong Insight into the strong aggregation-induced emission of low-conjugated racemic C6-unsubstituted tetrahydropyrimidines through crystal-structure‒property relationship of polymorphs Chem. Sci., 2015, 6, 4690 |
1520065 | CIF | C29 H34 F3 Ir N2 O4 | P b c a | 20.8528; 11.8997; 22.661 90; 90; 90 | 5623.1 | Zhou, Meng; Johnson, Samantha I.; Gao, Yang; Emge, Thomas J.; Nielsen, Robert J.; Goddard, William A.; Goldman, Alan S. Activation and Oxidation of Mesitylene C‒H Bonds by (Phebox)Iridium(III) Complexes Organometallics, 2015, 34, 2879 |
1520066 | CIF | C29 H37 Ir N2 O4 | P b c a | 20.532; 11.9277; 22.489 90; 90; 90 | 5507.5 | Zhou, Meng; Johnson, Samantha I.; Gao, Yang; Emge, Thomas J.; Nielsen, Robert J.; Goddard, William A.; Goldman, Alan S. Activation and Oxidation of Mesitylene C‒H Bonds by (Phebox)Iridium(III) Complexes Organometallics, 2015, 34, 2879 |
1520086 | CIF | C92 H129 Co2 Dy5 N10 O37 | P b c a | 28.3983; 17.1091; 23.8614 90; 90; 90 | 11593.5 | Berkoff, Benjamin; Griffiths, Kieran; Abdul-Sada, Alaa; Tizzard, Graham J.; Coles, Simon J.; Escuer, Albert; Kostakis, George E. A new family of high nuclearity Co(II)/Dy(III) coordination clusters possessing robust and unseen topologies. Dalton transactions (Cambridge, England : 2003), 2015, 44, 12788-12795 |
1520144 | CIF | C3 H4 Br Cl4 N4 O4 P3 | P b c a | 13.0288; 12.2797; 18.0331 90; 90; 90 | 2885.11 | Coles, Simon J.; Hursthouse, Michael B.; Davies, David B.; Kilic, A.; Uslu, A. C3H4BrCl4N4O4P3 Crystal Structure Report Archive, 2008, 487 |
1520181 | CIF | C8 H8 F N O | P b c a | 10.5132; 9.4393; 15.1635 90; 90; 90 | 1504.78 | Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N-(2-fluorophenyl)acetamide Crystal Structure Report Archive, 2008, 1362 |
1520182 | CIF | C8 H8 F N O | P b c a | 12.1766; 9.5024; 12.9638 90; 90; 90 | 1500 | Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N-(3-fluorophenyl)acetamide Crystal Structure Report Archive, 2008, 1373 |
1520186 | CIF | C9 H10 Br N O | P b c a | 9.3819; 9.2804; 20.7436 90; 90; 90 | 1806.1 | Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N-(4-bromophenyl)propanamide Crystal Structure Report Archive, 2008, 537 |
1520204 | CIF | C18 H14 N4 O | P b c a | 14.7295; 14.7023; 26.7711 90; 90; 90 | 5797.5 | Collins, Ian; Smyth, Lynette A.; Horton, Peter N.; Hursthouse, Michael B. 3-Amino-2,6-diphenyl-2,5-dihydro-pyrazolo[4,3-c]pyridin-4-one Crystal Structure Report Archive, 2008, 444 |
1520243 | CIF | C8 H10 N2 O | P b c a | 11.9225; 7.2026; 17.4291 90; 90; 90 | 1496.69 | Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N-(4-aminophenyl)acetamide Crystal Structure Report Archive, 2008, 1391 |
1520249 | CIF | C8 H10 N2 O | P b c a | 11.9225; 7.2026; 17.4291 90; 90; 90 | 1496.69 | Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N-(4-aminophenyl)acetamide Crystal Structure Report Archive, 2008, 546 |
1520251 | CIF | C9 H8 F3 N O | P b c a | 9.663; 9.2888; 19.8221 90; 90; 90 | 1779.19 | Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N-[4-(trifluoromethyl)phenyl]acetamide Crystal Structure Report Archive, 2008, 1384 |
1520256 | CIF | C9 H11 N O2 | P b c a | 9.1172; 7.495; 24.6628 90; 90; 90 | 1685.29 | Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N-(4-methoxyphenyl)acetamide Crystal Structure Report Archive, 2008, 1392 |
1520259 | CIF | C9 H11 N O2 | P b c a | 9.1172; 7.495; 24.6628 90; 90; 90 | 1685.29 | Huth, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B.; Coles, Simon J. N-(4-methoxyphenyl)acetamide Crystal Structure Report Archive, 2008, 543 |
1520294 | CIF | C7 H10 Cl N | P b c a | 7.3965; 14.3362; 14.5021 90; 90; 90 | 1537.77 | Rumyantsev, Misha; Sitnikov, Nikolay S.; Somov, Nikolay V. Hydrogen-bond-assisted organocatalytic acetalization of secondary alcohols: experimental and theoretical studies. The journal of physical chemistry. A, 2015, 119, 4108-4117 |
1520315 | CIF | C12 H20 B F2 N O4 | P b c a | 16.8311; 9.1985; 18.0999 90; 90; 90 | 2802.24 | Roßbach, Jan; Harms, Klaus; Koert, Ulrich α-Crotyl-α-difluoroboranyloxy-amides: Structure and Reactivity of Isolable Intermediates in Stereospecific α-Ketol Rearrangements. Organic letters, 2015, 17, 3122-3125 |
1520363 | CIF | C15 H19 Cl N4 O7 Si | P b c a | 6.87; 23.3867; 24.351 90; 90; 90 | 3912.4 | Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B. C15H19ClN4O7Si Crystal Structure Report Archive, 2009, 711 |
1520391 | CIF | C37 H60 Cl Fe O4 P2 Rh | P b c a | 16.8121; 19.229; 22.968 90; 90; 90 | 7425.1 | Coles, Simon J.; Hursthouse, Michael B.; Butler, I. R. C37H60ClFeO4P2Rh Crystal Structure Report Archive, 2009, 654 |
1520400 | CIF | C8 H8 Cl N O | P b c a | 10.5174; 9.4252; 16.2656 90; 90; 90 | 1612.39 | Coles, Susanne L.; Threlfall, Terry L.; Hursthouse, Michael B. N-(2-chlorophenyl)acetamide Crystal Structure Report Archive, 2009, 1368 |
1520419 | CIF | C13 H15 Cl N2 O2 Si | P b c a | 11.8719; 15.0801; 15.5429 90; 90; 90 | 2782.64 | Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B. C13H15ClN2O2Si Crystal Structure Report Archive, 2009, 651 |
1520426 | CIF | C20 H17 Fe N O | P b c a | 17.4825; 7.342; 23.1152 90; 90; 90 | 2966.99 | Spencer, John; Patel, Hiren; Callear, Samantha K.; Hursthouse, Michael B. C20H17FeNO Crystal Structure Report Archive, 2009, 648 |
1520435 | CIF | C7.5 H9.5 N4.5 O0.5 Zn | P b c a | 15.5741; 14.8047; 18.4602 90; 90; 90 | 4256.4 | Cheetham, A.K.; Bennett, T.D.; Callear, Samantha K.; Hursthouse, Michael B. C7.5H9.5N4.5O0.5Zn Crystal Structure Report Archive, 2009, 625 |
1520449 | CIF | C16 H15 N O2 S Se | P b c a | 7.38023; 12.875; 31.8273 90; 90; 90 | 3024.24 | Siva Reddy, Alla; Kumara Swamy, K. C. Use of Elemental Sulfur or Selenium in a Novel One-Pot Copper-Catalyzed Tandem Cyclization of Functionalized Ynamides Leading to Benzosultams. Organic letters, 2015, 17, 2996-2999 |
1520474 | CIF | C16 H16 Fe N2 | P b c a | 17.3279; 7.3648; 20.9885 90; 90; 90 | 2678.48 | Tizzard, Graham J.; Coles, Simon J.; Spencer, John Ferrocene complex C16H16FeN2 Crystal Structure Report Archive, 2010, 1277 |
1520492 | CIF | C13 H10 Cl N3 O2 | P b c a | 7.24; 11.439; 29.79 90; 90; 90 | 2467 | Xia, Guomin; Ruan, Chengyan; Wang, Hongming Highly sensitive detection of carbon dioxide by a pyrimido[1,2-a]benzimidazole derivative: combining experimental and theoretical studies. The Analyst, 2015, 140, 5099-5104 |
1520505 | CIF | C20 H16 I N O | P b c a | 7.2355; 20.9295; 23.0167 90; 90; 90 | 3485.5 | Wang, Jia; Zhu, Hai-Tao; Qiu, Yi-Feng; Niu, Yuan; Chen, Si; Li, Ying-Xiu; Liu, Xue-Yuan; Liang, Yong-Min Facile Synthesis of Carbazoles via a Tandem Iodocyclization with 1,2-Alkyl Migration and Aromatization. Organic letters, 2015, 17, 3186-3189 |
1520566 | CIF | C51 H55 F9 O16 S3 | P b c a | 20.6289; 22.2856; 24.1696 90; 90; 90 | 11111.4 | Han, Jie; Hou, Xisen; Ke, Chenfeng; Zhang, Huacheng; Strutt, Nathan L.; Stern, Charlotte L.; Stoddart, J. Fraser Activation-Enabled Syntheses of Functionalized Pillar[5]arene Derivatives. Organic letters, 2015, 17, 3260-3263 |
1520574 | CIF | C19 H17 N O | P b c a | 7.4565; 18.3137; 20.6855 90; 90; 90 | 2824.73 | Hardegger, Leo A.; Habegger, Jacqueline; Donohoe, Timothy J. Modular Synthesis of Highly Substituted Pyridines via Enolate α-Alkenylation. Organic letters, 2015, 17, 3222-3225 |
1520605 | CIF | C18 H32 Mo O6 | P b c a | 22.958; 16.139; 10.672 90; 90; 90 | 3954 | Lehtonen, Ari; Sillanpaa, Reijo Dioxomolybdenum(VI) Complexes of Chelating Alkoxides Acta Chemica Scandinavica, 1999, 53, 1078-1082 |
1520624 | CIF | C28 H64 F N O4 | P b c a | 18.6017; 18.6158; 19.1084 90; 90; 90 | 6616.96 | Engle, Keary M.; Pfeifer, Lukas; Pidgeon, George W.; Giuffredi, Guy T.; Thompson, Amber L.; Paton, Robert S.; Brown, John M.; Gouverneur, Véronique Coordination diversity in hydrogen-bonded homoleptic fluoride‒alcohol complexes modulates reactivity Chem. Sci., 2015, 6, 5293 |
1520633 | CIF | C22 H21 Br N2 O3 S2 | P b c a | 11.7745; 15.3391; 24.3582 90; 90; 90 | 4399.34 | Choi, Wonseok; Kim, Jaeeun; Ryu, Taekyu; Kim, Ki-Bbeum; Lee, Phil Ho Synthesis of N-Imidoyl and N-Oxoimidoyl Sulfoximines from 1-Alkynes, N-Sulfonyl Azides, and Sulfoximines. Organic letters, 2015, 17, 3330-3333 |
1520660 | CIF | C16 H10 Cl2 I2 | P b c a | 9.0806; 15.5457; 23.2185 90; 90; 90 | 3277.6 | Sproul, Kyle C.; Chalifoux, Wesley A. Highly Regio- and Diastereoselective Formation of Tetrasubstituted (Z)-1,2-Dihaloalkenes from the Halogenation of Trimethylsilyl Alkynes with ICl. Organic letters, 2015, 17, 3334-3337 |
1520667 | CIF | C64 H142 Ge2 Si14 | P b c a | 21.4391; 21.7284; 36.5231 90; 90; 90 | 17013.8 | Sasamori, Takahiro; Sugahara, Tomohiro; Agou, Tomohiro; Sugamata, Koh; Guo, Jing-Dong; Nagase, Shigeru; Tokitoh, Norihiro Reaction of a diaryldigermyne with ethylene Chem. Sci., 2015, 6, 5526 |
1520685 | CIF | C21 H21 Cl O4 | P b c a | 15.5081; 11.7102; 20.245 90; 90; 90 | 3676.6 | Tanveer, Kashif; Jarrah, Kareem; Taylor, Mark S. Borinic Acid Catalyzed, Regioselective Chloroacylations and Chlorosulfonylations of 2,3-Epoxy Alcohols. Organic letters, 2015, 17, 3482-3485 |
1520696 | CIF | C41 H32 N2 O | P b c a | 9.7137; 21.2283; 30.357 90; 90; 90 | 6259.8 | Martínez, Ángel Manu; Echavarren, Javier; Alonso, Inés; Rodríguez, Nuria; Gómez Arrayás, Ramón; Carretero, Juan C. RhI/RhIIIcatalyst-controlled divergent aryl/heteroaryl C‒H bond functionalization of picolinamides with alkynes Chem. Sci., 2015, 6, 5802 |
1520726 | CIF | C44 H42 F6 N6 O7 S2 | P b c a | 21.512; 10.424; 40.881 90; 90; 90 | 9167 | Zhu, Chuan-Le; Yang, Li-Jun; Li, Shen; Zheng, Yan; Ma, Jun-An Brine-Stabilized 2,2,2-Trifluorodiazoethane and Its Application in the Synthesis of CF3-Substituted Cyclopropane α-Amino Acids. Organic letters, 2015, 17, 3442-3445 |
1520728 | CIF | C25 H34 N2 O9 Si | P b c a | 10.3059; 20.6482; 25.5756 90; 90; 90 | 5442.4 | Cheng, Qing-Qing; Qian, Yu; Zavalij, Peter Y.; Doyle, Michael P. Lewis Acid/Rhodium-Catalyzed Formal [3 + 3]-Cycloaddition of Enoldiazoacetates with Donor-Acceptor Cyclopropanes. Organic letters, 2015, 17, 3568-3571 |
1520929 | CIF | C7 H10 Cu N6 Ni | P b c a | 9.466; 12.268; 19.096 90; 90; 90 | 2217.6 | Cernak, J.; Lipkowski, J. Two polymorphs of Cu (tn) Ni (C N)4 containing tetracyanonickellate anions with triple bridging function: preparation and crystallographic characterization Monatshefte fuer Chemie und verwandte Teile anderer Wissenschaften (109,1978-), 1999, 130, 1195-1206 |
1521911 | CIF | Cu2 O7 P2 Tl | P b c a | 8.694; 9.248; 16.649 90; 90; 90 | 1338.61 | Schwunck, H.M.; Moser, P.; Jung, W. Tl Cu(I) Cu(II) P2 O7 mit Kupfer in gemischter Valenz - ein Zwischenprodukt bei der Oxidation einer Tl / Cu / P Legierung mit Sauerstoff Zeitschrift fuer Anorganische und Allgemeine Chemie, 1999, 625, 463-466 |
1522000 | CIF | C60 Sm2.75 | P b c a | 28.19699; 28.23499; 28.16089 90; 90; 90 | 22420.1 | Sun, Z.; Chen, X.H.; Takenobu, T.; Iwasa, Y. Structure and Raman behaviour of Sm2.75 C60 Journal of Physics: Condensed Matter, 2000, 12, 8919-8926 |
1522123 | CIF | Ga K O2 | P b c a | 5.51; 11.07; 15.81 90; 90; 90 | 964.342 | Vielhaber, E.; Hoppe, R. Oxogallate der Alkalimetalle Zeitschrift fuer Anorganische und Allgemeine Chemie, 1969, 369, 14-32 |
1523950 | CIF | H4 I2 Ni O8 | P b c a | 9.14986; 12.209; 6.58353 90; 90; 90 | 735.45 | Abrahams, S.C.; Verschoor, G.C.; Bernstein, J.L.; Elemans, J.B.A.A. Paramagnetic Ni (I O3)2 * 2(H2 O). Crystal structure of the transition-metal iodates. I Journal of Chemical Physics, 1973, 59, 2007-2018 |
1524479 | CIF | H12 N6 Na3 Yb | P b c a | 6.492; 12.24; 21.33 90; 90; 90 | 1694.93 | Hadenfeldt, C.; Jacobs, H. Darstellung, Eigenschaften und Kristallstruktur von Na3 Yb (N H2)6 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1972, 393, 111-125 |
1525567 | CIF | Cl H8 O7.5 | P b c a | 12.115; 19.708; 10.11 90; 90; 90 | 2413.89 | Almloef, J. Hydrogen Bond Studies. 72. The crystal structure of H Cl O4 (H2 O)3.5 Chemica Scripta, 1973, 3, 73-79 |
1525580 | CIF | Na O9 P3 Zn | P b c a | 14.259; 14.234; 14.238 90; 90; 90 | 2889.78 | Aouad, H.; Maazaz, M.; Belharouak, I. Crystal structure and luminescence properties of silver(I) doped polyphosphate Na Zn (P O3)3 Materials Research Bulletin, 2000, 35, 2457-2467 |
1525682 | CIF | O3 Rh2 | P b c a | 5.1477; 5.4425; 14.6977 90; 90; 90 | 411.776 | Biesterbos, J.W.M.; Hornstra, J. The Crystal Structure of the high-temperature low-pressure Form of Rh2 O3 Journal of the Less-Common Metals, 1973, 30, 121-125 |
1525973 | CIF | D4 I2 Ni O8 | P b c a | 9.158; 12.206; 6.584 90; 90; 90 | 735.976 | Elemans, J.B.A.A.; van Laar, B.; Loopstra, B.O. The crystallographic and magnetic structure of Ni (I O3)2 (H2 O)2 Physica (Utrecht) (18,1952-78,1974), 1972, 57, 215-220 |
1526014 | CIF | Cl6 N Nd3 | P b c a | 10.4971; 11.0683; 16.211 90; 90; 90 | 1883.48 | Meyer, M.; Lissner, F.; Schleid, T. Nd3 N Cl6 und Nd4 N S3 Cl3 : Zwei Neodymnitrid-Derivate mit discreten Einheiten Kantenverknuepfter ((N2 Nd6)(12+)) bzw. isolierter (N Nd4)(9+)-Tetraeder Zeitschrift fuer Anorganische und Allgemeine Chemie, 2000, 626, 1205-1210 |
1526044 | CIF | Ca2 O4 Ru | P b c a | 5.3945; 5.5999; 11.7653 90; 90; 90 | 355.414 | Friedt, O.; Nakatsuji, S.; Andre, G.; Adelmann, P.; Braden, M.; Maeno, Y. Structural and magnetic aspects of the metal-insulator transition in Ca2-x Srx Ru O4 Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2001, 63, 1744321-17443210 |
1526045 | CIF | Ca1.9 O4 Ru Sr0.1 | P b c a | 5.4207; 5.4802; 11.9395 90; 90; 90 | 354.681 | Friedt, O.; Nakatsuji, S.; Andre, G.; Adelmann, P.; Braden, M.; Maeno, Y. Structural and magnetic aspects of the metal-insulator transition in Ca2-x Srx Ru O4 Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2001, 63, 1744321-17443210 |
1526047 | CIF | Ca1.8 O4 Ru Sr0.2 | P b c a | 5.3304; 5.319; 12.4094 90; 90; 90 | 351.836 | Friedt, O.; Braden, M.; Andre, G.; Adelmann, P.; Nakatsuji, S.; Maeno, Y. Structural and magnetic aspects of the metal-insulator transition in Ca2-x Srx Ru O4 Physical Review, Serie 3. B - Condensed Matter (18,1978-), 2001, 63, 1744321-17443210 |
1526106 | CIF | As2 H5 O8 Rb | P b c a | 7.9403; 9.8218; 20.4244 90; 90; 90 | 1592.86 | Naili, H.; Mhiri, T. X-ray structural, vibrational and calorimetric studies of a new rubidium pentahydrogen arsenate Rb H5 (As O4)2 Journal of Alloys Compd., 2001, 315, 143-149 |
1526444 | CIF | Li2 Mn2 O12 S3 | P b c a | 8.686; 8.792; 24.146 90; 90; 90 | 1843.96 | Isasi, J.; Train, C.; Jaulmes, S.; Quarton, M.; Elfakir, A. Crystal structure and magnetic properties of Li2 Mn2 (S O4)3 Journal of Solid State Chemistry, 2001, 158, 148-153 |
1526641 | CIF | Al O4 P | P b c a | 18.02411; 13.91737; 9.65536 90; 90; 90 | 2422.03 | Kirchner, R.M.; Grosse-Kunstleve, R.W.; Pluth, J.J.; Smith, J.V.; Broach, R.W.; Wilson, S.T. The structures of as-synthesized Al P O4 - 53(A), calcined dehydrated Al P O4 - 53(B), and Al P O4 - 53(C), a new phase determined by the FOCUS method Microporous and Mesoporous Materials, 2000, 39, 319-332 |
1526660 | CIF | Al K O2 | P b c a | 5.4482; 10.916; 15.445 90; 90; 90 | 918.554 | Sokolowski, J.; Kotarba, A. The structure of potassium aluminium oxide K Al O2 Materials Science Forum, 2000, 321, 954-959 |
1526735 | CIF | Al0.196 Ca0.069 Fe0.409 Mg1.49 O6 Si1.85 | P b c a | 18.276; 8.819; 5.196 90; 90; 90 | 837.471 | Takeda, H. Crystallographic Studies of Coexisting Aluminan Orthopyroxene and Augite of High-Pressure Origin Journal of Geophysical Research, 1972, 77, 5798-5811 |
1527115 | CIF | Br6 Cr4 H46 N12 O8 | P b c a | 22.581; 13.931; 10.001 90; 90; 90 | 3146.07 | Bang, E.; Narasimha, T. The crystal structure of di-mue-hydroxotetrakis-mue-hydroxobis(tetraminechromium III))bis(diamminechromium(III))bromide dihydrate Acta Chemica Scandinavica (1-27,1973-42,1988), 1970, 24, 275-284 |
1527189 | CIF | I4 Pt | P b c a | 12.9; 15.64; 6.9 90; 90; 90 | 1392.12 | Brodersen, K.; Thiele, G.; Holle, B. Zur Kenntnis des Platin(IV)-jodids Zeitschrift fuer Anorganische und Allgemeine Chemie, 1969, 369, 154-160 |
1527203 | CIF | Co Na5 O4 | P b c a | 10.36; 5.99; 18.04999 90; 90; 90 | 1120.12 | Burow, W.; Hoppe, R. Das erste Oxocobaltat(III) mit Inselstruktur: Na5 (Co O4) Naturwissenschaften, 1980, 67, 192-192 |
1527297 | CIF | H8 N2 S7 Sb4 | P b c a | 11.33; 26.252; 9.94 90; 90; 90 | 2956.5 | Dittmar, G.; Schaefer, H. Darstellung und Kristallstruktur von (N H4)2 Sb4 S7 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1977, 437, 183-187 |
1527333 | CIF | As Na Se2 | P b c a | 5.83; 24.27; 11.82 90; 90; 90 | 1672.46 | Eisenmann, B.; Schaefer, H. Ueber Seleno- und Telluroarsenite, -antimonite und -bismutite Zeitschrift fuer Anorganische und Allgemeine Chemie, 1979, 456, 87-94 |
1527607 | CIF | C Cu N S | P b c a | 10.994; 7.224; 6.662 90; 90; 90 | 529.1 | Kabesova, M.; Dunaj-Jurco, M.; Serator, M.; Gazo, J. Crystal structure of copper(I) thiocyanate and its relation to the crystal structure of copper(II) diammine dithiocyanate complex Inorganica Chimica Acta, 1976, 17, 161-165 |
1527685 | CIF | O7 Tc2 | P b c a | 13.756; 7.439; 5.617 90; 90; 90 | 574.793 | Krebs, B. Technetium(VII)-oxid: Ein Uebergangsmetalloxid mit Molekuelstruktur im festen Zustand Zeitschrift fuer Anorganische und Allgemeine Chemie, 1971, 380, 146-159 |
1527716 | CIF | F5 H12 Mo N3 O3 | P b c a | 16.521; 15.956; 6.793 90; 90; 90 | 1790.7 | Larking, I.; Stomberg, G. Studies on peroxomolybdates VII. The crystal structure of triammonium fluoride oxoperoxotetrafluoromolybdate(VI), (N H4)3 F Mo O O2 F4 Acta Chemica Scandinavica (1-27,1973-42,1988), 1970, 24, 2043-2054 |
1527738 | CIF | Cr3 O10 Rb2 | P b c a | 19.04; 11.52; 9.36 90; 90; 90 | 2053.03 | Loefgren, P. On the crystal structures of Rb2 Cr3 O10 and Rb2 Cr4 O13 Acta Chemica Scandinavica (1-27,1973-42,1988), 1971, 25, 3893-3895 |
1527770 | CIF | K4 O3 Pb | P b c a | 6.543; 11.405; 18.709 90; 90; 90 | 1396.12 | Martens, K.P.; Hoppe, R. Das erste Oxoplumbat(II) mit Inselstruktur: K4 Pb O3 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1978, 438, 105-114 |
1528142 | CIF | Cd O6 P2 | P b c a | 9.607; 13.7; 7.037 90; 90; 90 | 926.181 | Tordjman, I.; Beucher, M.; Guitel, J.C.; Bassi, G. Structure cristalline du polyphosphate de cadmium Cd (P O3)2 Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977), 1968, 91, 344-349 |
1528250 | CIF | Na5 Ni O4 | P b c a | 10.22; 5.94; 17.98 90; 90; 90 | 1091.51 | Zentgraf, H.; Hoppe, R. Na5 Ni O4, das erste Oxoniccolat(III) mit Inselstruktur Zeitschrift fuer Anorganische und Allgemeine Chemie, 1980, 462, 61-70 |
1528514 | CIF | Fe0.15 Mg1.82 O6 Si2 | P b c a | 18.4588; 8.9638; 5.2848 90; 90; 90 | 874.428 | Gatta, G.D.; Rinaldi, R.; Knight, K.S.; Molin, G.; Artioli, G. High temperature structural and thermoelastic behaviour of mantle orthopyroxene: an in-situ neutron powder diffraction study Physics and Chemistry of Minerals (Germany), 2007, 34, 185-200 |
1528556 | CIF | O3 Te Zn | P b c a | 7.36; 6.38; 12.32 90; 90; 90 | 578.508 | Hanke, K. Zinktellurit: Kristallstruktur und Beziehungen zu einigen Seleniten Naturwissenschaften, 1967, 54, 199-199 |
1528796 | CIF | Bi2 Mo O6 | P b c a | 5.506; 16.226; 5.487 90; 90; 90 | 490.211 | Pertlik, F.; Zemann, J. Neubestimmung der Kristallstruktur des Koechlinits Fortschritte der Mineralogie, Beiheft, 1982, 60, 162-163 |
1528895 | CIF | Ga Li5 O4 | P b c a | 9.173; 9.094; 9.202 90; 90; 90 | 767.624 | Stewner, F.; Hoppe, R. Ueber 'Kationen-reiche' Oxide. Zur Kenntnis von Li5 Ga O4 und Li5 Al O4 Naturwissenschaften, 1968, 55, 297-297 |
1528941 | CIF | C60 Cl6 | P b c a | 17.1965; 39.918; 19.5617 90; 90; 90 | 13428.1 | Troyanov, S.I.; Burtsev, A.V.; Kemnitz, E. Synthesis and structure of fullerene halides in the C60-(Ti Cl4 + Br2) system: molecular structures of (C60 Cl5)2, C60 X6, C60 X8, and C60 X24 (X = Cl, Br) Kristallografiya, 2009, 54, 268-275 |
1528942 | CIF | C60 Br0.85 Cl5.15 | P b c a | 17.226; 40.0522; 19.6088 90; 90; 90 | 13528.9 | Troyanov, S.I.; Burtsev, A.V.; Kemnitz, E. Synthesis and structure of fullerene halides in the C60-(Ti Cl4 + Br2) system: molecular structures of (C60 Cl5)2, C60 X6, C60 X8, and C60 X24 (X = Cl, Br) Kristallografiya, 2009, 54, 268-275 |
1528957 | CIF | C10.878 H29.634 Ga I1.122 Si3 | P b c a | 13.4043; 11.6463; 24.321 90; 90; 90 | 3796.76 | Viefhaus, T.; Schwarz, W.; Locke, K.; Huebler, K.; Weidlein, J. Das unterschiedliche Reaktionsverhalten von basefreiem Tris(trimethylsilyl)methyl-Lithium gegenueber den Trihalogeniden der Erdmetalle und des Eisens Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 715-725 |
1529092 | CIF | C47 H44.5 B Cu F4 N5.5 O11 | P b c a | 9.459; 29.785; 34.465 90; 90; 90 | 9710 | Thorp-Greenwood, Flora L.; Ronson, Tanya K.; Hardie, Michaele J. Copper coordination polymers from cavitand ligands: hierarchical spaces from cage and capsule motifs, and other topologies Chem. Sci., 2015, 6, 5779 |
1529189 | CIF | O42 W12 | P b c a | 19.29; 24.46; 11.02 90; 90; 90 | 5199.6 | Weiss, G. Die Struktur des Parawoframations am Beispiel des Ammoniumparawolframates (N H4)10 (H2 W12 O42) (H2 O)10 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1969, 368, 279-283 |
1529263 | CIF | C23 H25 N O2 | P b c a | 7.5352; 16.1007; 30.3669 90; 90; 90 | 3684.2 | Dange, Nitin S.; Stepherson, Jacob R.; Ayala, Caitlan E.; Fronczek, Frank R.; Kartika, Rendy Cooperative benzylic‒oxyallylic stabilized cations: regioselective construction of α-quaternary centers in ketone-derived compounds Chem. Sci., 2015, 6, 6312 |
1529355 | CIF | C14 H16 O4 Te | P b c a | 15.7046; 8.83038; 19.1603 90; 90; 90 | 2657.1 | Prasad, Poonam Rajesh; Singh, Harkesh B.; Butcher, Ray J. Synthesis, Structure and Antioxidant Activity of Cyclohexene-Fused Selenuranes and Related Derivatives. Molecules (Basel, Switzerland), 2015, 20, 12670-12685 |
1529386 | CIF HKL | C2 H5 N5 O4 | P b c a | 11.116; 18.075; 6.559 90; 90; 90 | 1317.8 | A.D. Vasiliev; A.M. Astakhov; M.S. Molokeev; L.A. Kruglyakova; R.S. Stepanov Crystal and molecular structure of 1-methyl-1,2-dinitroguanidine Journal of Structural Chemistry, 2004, 45, 532-536 |
1529458 | CIF | C29 H32 O5 | P b c a | 24.274; 16.262; 12.626 90; 90; 90 | 4984 | Rouger, Caroline; Derbré, Séverine; Charreau, Béatrice; Pabois, Angélique; Cauchy, Thomas; Litaudon, Marc; Awang, Khalijah; Richomme, Pascal Lepidotol A from Mesua lepidota Inhibits Inflammatory and Immune Mediators in Human Endothelial Cells. Journal of natural products, 2015, 78, 2187-2197 |
1529863 | CIF | C25 H26 O2 | P b c a | 12.3364; 8.7782; 36.9717 90; 90; 90 | 4003.7 | Ackrill, Thomas D.; Sparkes, Hazel A.; Willis, Christine L. Synthesis of Diarylheptanoid Scaffolds Inspired by Calyxins I and J. Organic letters, 2015, 17, 3884-3887 |
1530098 | CIF | I K4 Li O6 | P b c a | 13.122; 9.982; 11.189 90; 90; 90 | 1465.58 | Hoppe, R.; Schneider, J. Eine "misslungene" Synthese: ueber K2 Li (I O6) und K5 I2 (Au O2) Journal of the Less-Common Metals, 1988, 137, 85-103 |
1530143 | CIF | Cl5 Pd Tl3 | P b c a | 7.475; 16.24; 16.666 90; 90; 90 | 2023.15 | Keller, H.L.; Schroeder, L. Darstellung und Kristallstruktur von Tl3 Pd Cl5 Journal of the Less-Common Metals, 1987, 132, 287-296 |
1530153 | CIF | O2.2 Ta2 | P b c a | 5.1; 5.1; 5.1 90; 90; 90 | 132.651 | Khitrova, V.I.; Klechkovskaya, V.V.; Pinsker, Z.G. Structures with fcc cells in thin films of oxides of Ta and Nb Kristallografiya, 1979, 24, 1254-1258 |
1530246 | CIF | Ca0.46 Cl2 Sr0.54 | P b c a | 13.421; 7.053; 6.817 90; 90; 90 | 645.286 | Lasocha, W.; Eick, H.A. The Structure of Ca0.3 Sr0.7 Cl2 and Ca0.46 Sr0.54 Cl2 by the X-Ray Rietveld Refinement Procedure Journal of Solid State Chemistry, 1988, 75, 175-182 |
1530477 | CIF | H2 K2 N4 O10 Pb | P b c a | 6.766; 11.999; 26.61 90; 90; 90 | 2160.34 | Nardelli, M.; Pelizzi, G. Crystal structure of K2 Pb (N O2)3 (N O3) (H2 O) Inorganica Chimica Acta, 1980, 38, 15-19 |
1530734 | CIF | Al Cl3 H3 N | P b c a | 9.895; 10.148; 11.544 90; 90; 90 | 1159.19 | Semenenko, K.N.; Lobkovskii, E.B.; Kravchenko, O.V.; Polyakova, V.B.; Korobov, I.I. Structure and vibrational spectra of aluminium chloride monoammoniate Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1978, 4, 1649-1652 |
1530860 | CIF | Ba H8 Mo4 O26 U3 | P b c a | 17.797; 11.975; 23.33 90; 90; 90 | 4972.07 | Tabachenko, V.V.; Balashov, V.L.; Kovba, L.M.; Serezhkin, V.N. Crystal Structure of Barium Uranyl Molybdate Ba (U O2)3 (Mo O4)4 (H2 O)4 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1984, 10, 854-857 |
1530885 | CIF | Fe K O2 | P b c a | 5.577; 11.227; 15.89 90; 90; 90 | 994.92 | Tomkowicz, Z.; Szytula, A. Crystal and magnetic structure of K Fe O2 Journal of Physics and Chemistry of Solids, 1977, 38, 1117-1123 |
1530925 | CIF | F3 H8 N2 O4 S Sb | P b c a | 10.85; 10.875; 13.521 90; 90; 90 | 1595.39 | Udovenko, A.A.; Davidovich, R.L.; Volkova, L.M.; Zemnukhova, L.A. Crystal structure of ammonium sulfatotrifluoroantimonate(III) (N H4)2 Sb F3 S O4 Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1979, 5, 749-751 |
1531142 | CIF | As H4 In O6 | P b c a | 9.09; 10.344; 10.468 90; 90; 90 | 984.274 | Chen Zhenxia; Zhao, D.-Y.; Weng, L.-H.; Zhou, Y.-M.; Zhang, H.-Y. Synthesis and structure of a new three-dimensional microporous indium arsenate Hua Hsueh Hsueh Pao, 2002, 60, 305-309 |
1531277 | CIF | Bi Er Ge O5 | P b c a | 5.314; 15.176; 10.999 90; 90; 90 | 887.017 | Cascales, C.; Zaldo, C. Crystal-field analysis of Eu(3+) energy levels in the new rare-earth R Bi Y1-x Rx Ge O5 oxide Journal of Solid State Chemistry, 2003, 171, 262-267 |
1531606 | CIF | Al Br3 H3 N | P b c a | 11.529; 12.188; 19.701 90; 90; 90 | 2768.29 | Jacobs, H.; Schroeder, F.O. Monoammoniates of aluminium halides: the crystal structures of (Al Br3) * (N H3) and (Al I3) * (N H3) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 327-329 |
1531607 | CIF | Al H3 I3 N | P b c a | 13.536; 8.759; 14.348 90; 90; 90 | 1701.12 | Jacobs, H.; Schroeder, F.O. Monoammoniates of aluminium halides: the crystal structures of (Al Br3) * (N H3) and (Al I3) * (N H3) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 327-329 |
1531703 | CIF | C6 H28 Co2 Ge9 N6 O22 | P b c a | 14.039; 12.987; 14.705 90; 90; 90 | 2681.08 | Julius, N.N.; Choudhury, A.; Rao, C.N.R. An organically templated open-framework cobalt germanate Journal of Solid State Chemistry, 2003, 170, 124-129 |
1531780 | CIF | Fe2 K2 O4 | P b c a | 5.5918; 11.221; 15.928 90; 90; 90 | 999.412 | Moeller, A. Das gemischtvalente ternaere Oxoferrat(II,III) K3 (Fe2 O4) - eine aufgefuellte Variante des K2 (Fe2 O4) - Typs Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 2537-2541 |
1531924 | CIF | H13 N5 O10 Re2 Ru | P b c a | 14.424; 12.044; 15.04 90; 90; 90 | 2612.79 | Minacheva, L.Kh.; Kokunova, V.N.; Sergienko, V.S.; Kokunov, Yu.V. Crystal structure of hydroxonitrosotetraammineruthenium(IV) perrhenate (Ru (N O) (O H) (N H3)4) (Re O4)2 Zhurnal Neorganicheskoi Khimii, 2001, 46, 1293-1296 |
1532133 | CIF | H3 Na O2 | P b c a | 11.96; 6.221; 6.134 90; 90; 90 | 456.389 | Rustad, J.R.; Bylaska, E.J.; Rosso, K.M.; Felmy, A.R. Ab initio investigation of the structures of Na O H hydrates and their Na(+) and (O H)(-) coordination polyhedra American Mineralogist, 2003, 88, 436-449 |
1532495 | CIF | C33 H52 I P2 Pd | P b c a | 14.978; 16.438; 29.361 90; 90; 90 | 7229 | Cui, Peng; Iluc, Vlad M. Redox-induced umpolung of transition metal carbenes Chem. Sci., 2015, 6, 7343 |
1532509 | CIF | C12 H6 S6 Se2 | P b c a | 16.5074; 8.21747; 23.5969 90; 90; 90 | 3200.9 | Debnath, Sashi; Bedi, Anjan; Zade, Sanjio S. Thienopentathiepine: a sulfur containing fused heterocycle for conjugated systems and their electrochemical polymerization Polym. Chem., 2015, 6, 7658 |
1533070 | CIF | Al O4 P | P b c a | 14.0343; 15.1794; 17.4024 90; 90; 90 | 3707.27 | Roux, M.; Marichal, C.; le Meins, J.M.; Chezeau, J.M.; Baerlocher, C. Solid state NMR and X-ray diffraction study of three forms of the aluminophosphate Al P O4 - ZON Microporous and Mesoporous Materials, 2003, 63, 163-176 |
1533713 | CIF | Bi0.693 Ca3.093 Mn3 O10 | P b c a | 5.3398; 5.3419; 26.8336 90; 90; 90 | 765.42 | Sousa, P.M.; Carvalho, M.D.; Melo Jorge, M.E.; Cruz, M.M.; Costa, F.M.; Godinho, M. Bismuth for calcium substitution in Ca4 Mn3 O10: preparation and study Solid State Sciences, 2003, 5, 943-949 |
1534126 | CIF | C16 H13 N O3 | P b c a | 7.2317; 11.2958; 32.232 90; 90; 90 | 2633 | Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols Chem. Sci., 2016, 7, 358 |
1534158 | CIF | Hg O6 V2 | P b c a | 14.43; 5.984; 4.925 90; 90; 90 | 425.269 | Angenault, J.; Rimsky, A. Structure cristalline de la phase Hg V2 O6 obtenue a haute temperature Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-), 1968, 266, 978-980 |
1534244 | CIF | Cl2 Yb | P b c a | 13.18; 6.96; 6.7 90; 90; 90 | 614.61 | Beck, H.P.; Baernighausen, H. Zur Kristallchemie der Ytterbium(II)-Halogenide Yb Cl2 und Yb Br2 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1971, 386, 221-228 |
1534306 | CIF | Fe Na5 O4 | P b c a | 10.334; 5.974; 18.08199 90; 90; 90 | 1116.3 | Brachtel, G.; Hoppe, R. Zur Kenntnis von Na5 Fe O4 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1978, 446, 77-86 |
1534308 | CIF | Cl14 O2 P2 Ti2 | P b c a | 12.42; 12.76; 13.51 90; 90; 90 | 2141.05 | Branden, C.I.; Lindqvist, I. The Crystal Structure of ((Ti Cl4) (P O Cl))2 Acta Chemica Scandinavica (1-27,1973-42,1988), 1960, 14, 726-732 |
1534357 | CIF | O7 P2 Zr | P b c a | 8.245; 8.245; 8.245 90; 90; 90 | 560.495 | Chaunac, M. Etude cristallographique du pyrophosphate de zirconium Bulletin de la Societe Chimique de France (Vol=Year), 1971, 1971, 424-429 |
1534400 | CIF | C64 H62 N6 O2 S4 | P b c a | 18.22; 12.964; 24.265 90; 90; 90 | 5731 | Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke 2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior Chem. Sci., 2016, 7, 451 |
1534628 | CIF | B F3 H3 N | P b c a | 8.0726; 8.0048; 9.2431 90; 90; 90 | 597.285 | Goebbels, D.; Meyer, G. Aufbau und Abbau von (N H4) (B F4) und (H3 N)-(B F3) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 1799-1805 |
1534633 | CIF | B F4 H Hg2 O | P b c a | 9.8504; 9.9096; 11.41 90; 90; 90 | 1113.77 | Goebbels, D.; Meyer, G. Hg2 (O H) (B F4), the first basic mercurous tetrafluoroborate Zeitschrift fuer Anorganische und Allgemeine Chemie, 2003, 629, 933-935 |
1534640 | CIF | Gd H O8 Se2 | P b c a | 9.2037; 13.516; 10.0404 90; 90; 90 | 1249 | Goehausen, I.; Wickleder, M.S. Hydrogenselenate der Selten-Erd-Elemente: Synthese und Kristallstruktur von La (H Se O4)3 und Gd (H Se O4) (Se O4) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 1115-1117 |
1534642 | CIF | Al H3 O3 | P b c a | 8.6857; 5.0521; 9.4954 90; 90; 90 | 416.668 | Liu, H.; Tse, J.S.; Hu, J.; Liu, Z.; Wang, L.; Weidner, D.J.; Chen, J.; Meng, Y.; Mao, H.-K.; Haeusermann, D. Structural Refinement of the High-Pressure Phase of Aluminium Trihydroxide: In-Situ High-Pressure Angle Dispersive Synchrotron X-ray Diffraction and Theoretical Studies J. Phys. Chem. B, 2005, 109, 8857-8860 |
1534721 | CIF | Co H26 N6 Np O17 S3 | P b c a | 19.437; 14.595; 12.744 90; 90; 90 | 3615.26 | Grigor'ev, M.S.; Fedoseev, A.M.; Budantseva, N.A.; Struchkov, Yu.T.; Yanovskii, A.I.; Krot, N.N. Synthesis, crystal and molecular structure of complex neptunium(V) sulfates (Co(NH3)6)(NpO2(SO4)2)*2H2O and (Co(NH3)6)H8O3(NpO2(SO4)3) Radiokhimiya, 1991, 33, 54-60 |
1534782 | CIF | Mo N4 Sr3 | P b c a | 10.4385; 9.7374; 11.51111 90; 90; 90 | 1170.03 | Bailey, M.S.; McGuire, M.A.; DiSalvo, F.J. Sr10 (Mo2 N6)(Mo N4)2 and beta-Sr3 Mo N4 Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 2177-2185 |
1534873 | CIF | I3 K O11 U | P b c a | 11.495; 7.2293; 25.394 90; 90; 90 | 2110.26 | Shvareva, T.Y.; Almond, P.M.; Albrecht-Schmitt, T.E. Crystal chemistry and ion-exchange properties of the layered uranyl iodate K [U O2 (I O3)3] Journal of Solid State Chemistry, 2005, 178, 499-504 |
1534884 | CIF | K Se | P b c a | 10.06; 19.45; 8.7 90; 90; 90 | 1702.3 | Madar, J. A contribution to the crystal structure of K H Se O4 Czechoslovak Journal of Physics, 1960, 10, 259-259 |
1534905 | CIF | H4 Li Mo Na O6 | P b c a | 8.219; 10.372; 13.277 90; 90; 90 | 1131.83 | Makitova, D.D.; Tkachev, V.V.; Atovmyan, L.O. Crystal structure of dihydrate lithium-sodium molybdate LiNaMoO4*2H2O Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1990, 16, 616-618 |
1534995 | CIF | C Cl8 W2 | P b c a | 11.956; 12.156; 15.837 90; 90; 90 | 2301.7 | Beck, J.; Wolf, F. W2 Cl7 (C Cl), a polymeric tungsten chlorocarbyne complex Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 1453-1454 |
1535168 | CIF | As3 La Si | P b c a | 6.084; 5.986; 26.235 90; 90; 90 | 955.448 | Hayakawa, H.; Ono, S.; Suzuki, A. The crystal structure of lanthanum silicon triarsenide (La Si As3) Nippon Kagaku Kaishi (= J.Chem.Soc.Japan) (1947-), 1984, 1984, 697-701 |
1535419 | CIF | Cr2 Li4 N6 Sr2 | P b c a | 9.14; 7.3541; 10.5355 90; 90; 90 | 708.159 | Hochrein, O.; Kniep, R.; Kohout, M.; Schnelle, W. Li4 Sr2 (Cr2 N6): ein Hexanitridodichromat(V) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2002, 628, 2738-2743 |
1535458 | CIF | Br0.3 I1.7 Sr | P b c a | 15.15; 8.14; 7.805 90; 90; 90 | 962.52 | Hodorowicz, S.A.; Eick, H.A. An X-ray diffraction study of the Sr Brx I2-x system Journal of Solid State Chemistry, 1983, 46, 313-320 |
1535462 | CIF | Br0.2 I1.8 Sr | P b c a | 15.189; 8.174; 7.84 90; 90; 90 | 973.374 | Hodorowicz, S.A.; Eick, H.A. An X-ray diffraction study of the Sr Brx I2-x system Journal of Solid State Chemistry, 1983, 46, 313-320 |
1535466 | CIF | I2 Sr | P b c a | 15.268; 8.251; 7.896 90; 90; 90 | 994.709 | Hodorowicz, S.A.; Eick, H.A. An X-ray diffraction study of the Sr Brx I2-x system Journal of Solid State Chemistry, 1983, 46, 313-320 |
1535504 | CIF | F12 H4 K2 O2 Rb2 Zr2 | P b c a | 13.886; 11.666; 8.907 90; 90; 90 | 1442.88 | Tkachev, V.V.; Davidovich, R.L.; Atovmyan, L.O.; Logvinova, V.B. Crystal structure of potassium rubidium hexafluorozirconate dihydrate Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR)), 1993, 19, 698-700 |
1535510 | CIF | Ba O15 V10 | P b c a | 11.6155; 9.8735; 9.4178 90; 90; 90 | 1080.09 | Bridges, C.A.; Greedan, J.E. Phase transitions and electrical transport in the mixed-valence V(2+)/V(3+) oxide Ba V10 O15 Journal of Solid State Chemistry, 2004, 177, 1098-1110 |
1535610 | CIF | Cs F H3 O4 P | P b c a | 7.859; 9.515; 14.744 90; 90; 90 | 1102.53 | Troyanov, S.I.; Snigireva, E.M.; Feist, M.; Kemnitz, E. Kristallstruktur und thermisches Verhalten von Metalldihydrogenphosphat-H F-Addukten M H2 P O4 * H F (M= K, Rb, Cs) mit Wasserstoffbindungen vom Typ F-H...O Zeitschrift fuer Anorganische und Allgemeine Chemie, 2001, 627, 1687-1692 |
1535793 | CIF | Ni5 P3 Si2 | P b c a | 4.932; 34.14; 5.941 90; 90; 90 | 1000.34 | Il'nitskaya, O.N.; Grin', Yu.; Kuz'ma, Yu.B. Crystal chemical studies of inhomogeneous linear structures. IX.A series of inhomogeneous linear structure of M2m+2n X2m+2n and its new member Ni5 Si2 P3. Kristallografiya, 1992, 37, 146-150 |
1535878 | CIF | Ce O8 Se2 | P b c a | 9.748; 9.174; 13.74 90; 90; 90 | 1228.74 | Iskhakova, L.D.; Kozlova, N.P.; Marugin, V.V. Crystal structure of Ce (Se O4)2 Kristallografiya, 1990, 35, 1089-1093 |
1535900 | CIF | Eu H O8 Se2 | P b c a | 9.232; 13.514; 10.061 90; 90; 90 | 1255.22 | Iskhakova, L.D.; Ovanisyan, S.M.; Trunov, V.K. Crystal structure of EuH(SeO4)2 Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1991, 32, 30-33 |
1536020 | CIF | F10 H4 Hf2 K4 O4 | P b c a | 13.905; 11.497; 8.697 90; 90; 90 | 1390.35 | Chernyshev, B.N.; Gerasimenko, A.V.; Didenko, N.A.; Bukvetskii, B.V.; Bakeeva, N.G. Synthesis and structure of dimeasured peroxofluorohafnates K4 Hf2 F10 O2. Zhurnal Neorganicheskoi Khimii, 1991, 36, 1112-1116 |
1536147 | CIF | P2 S6 Tl4 | P b c a | 16.366; 13.321; 11.41 90; 90; 90 | 2487.51 | Voroshilov, Yu.V.; Gebesh, V.Yu.; Potorii, M.V. A study of Tl-P-S system Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy, 1994, 30, 479-483 |
1536189 | CIF | H2 K2 O12 Si4 V | P b c a | 10.258; 8.26; 12.981 90; 90; 90 | 1099.89 | Wang, X.-Q.; Liu, L.-M.; Jacobson, A.J. The novel open-framework vanadium silicates K2 (V O) (Si4 O10) * (H2 O) (VSH-1) and Cs2 (VO) (Si6 O14) * 3(H2 O) (VSH-2) Angew. Chem. Int. ed., 2001, 40, 2174-2176 |
1536208 | CIF | Pt Sb Si | P b c a | 6.3128; 6.3347; 11.3945 90; 90; 90 | 455.663 | Wang, M.; Morgan, M.G.; Mar, A. Platinum silicon antimonide (Pt Si Sb) Journal of Solid State Chemistry, 2003, 175, 231-236 |
1536340 | CIF | Ca4 O14 Te5 | P b c a | 10.9536; 16.556; 15.779 90; 90; 90 | 2861.49 | Weil, M. New phases in the systems Ca - Te - O and Cd - Te - O : the calcium tellurite(IV) Ca4 Te5 O14 and the cadmium compounds Cd2 Te3 O9 and Cd2 Te2 O7 with mixed-valent oxotellurium(IV/VI) anions Solid State Sciences, 2004, 6, 29-37 |
1536457 | CIF | Eu7 Ga6 Sb8 | P b c a | 15.647; 17.2876; 17.92 90; 90; 90 | 4847.34 | Park, S.-M.; Kim, S.-J.; Kanatzidis, M.G. Eu7 Ga6 Sb8: A Zintl phase with Ga-Ga bonds and polymeric gallium antimonide chains Journal of Solid State Chemistry, 2004, 177, 2867-2874 |
1536663 | CIF | Cl2 H6 N2 Pd | P b c a | 8.1513; 8.1513; 7.7971 90; 90; 90 | 518.068 | Kirik, S.D.; Krapivko, A.A.; Kruglik, A.I.; Yakimov, I.S. Determination of the crystal structure of beta-trans-Pd (N H3)2 Cl2 by the full-profile analysis technique. Kristallografiya, 1991, 36, 1563-1566 |
1536673 | CIF | Re2 Te5 | P b c a | 13.003; 12.935; 14.212 90; 90; 90 | 2390.37 | Klaiber, F.; Petter, W.; Hulliger, F. The structure type of Re2 Te5, a new (M6 X14) cluster compound Journal of Solid State Chemistry, 1983, 46, 112-120 |
1536699 | CIF | Na3 O2 P S2 | P b c a | 17.53589; 11.30444; 5.86555 90; 90; 90 | 1162.75 | Pompetzki, M.; Dinnebier, R.E.; Jansen, M. Sodium dithiophosphate(V): crystal structure, sodium ionic conductivity and dismutation Solid State Sciences, 2003, 5, 1439-1444 |
1536875 | CIF | C66 H90 N2 O8 Zn2 | P b c a | 10.881; 19.554; 29.442 90; 90; 90 | 6264.3 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci., 2016, 7, 707 |
1536877 | CIF | C32 H46 N2 O4 Zn | P b c a | 12.2437; 18.3841; 30.3846 90; 90; 90 | 6839.3 | Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip Redox-promoted associative assembly of metal‒organic materials Chem. Sci., 2016, 7, 707 |
1536889 | CIF | H5 La O10 Se3 | P b c a | 7.329; 11.013; 22.802 90; 90; 90 | 1840.45 | Feng, M.-L.; Mao, J.-G. Synthesis, crystal structure and characterization of a new layered lanthanum(III) diselenite hydrogenselenite: La (Se2 O5) (H Se O3) . H2 O Journal of Alloys Compd., 2005, 391, 33-37 |
1536935 | CIF | Ga Na5 O4 | P b c a | 10.263; 5.95; 18.064 90; 90; 90 | 1103.07 | Fink, D.; Hoppe, R. Ein neues Oxogallat Na5 Ga O4 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1975, 414, 193-288 |
1537019 | CIF | Al32 H123.68 O189.84 P32 | P b c a | 14.49297; 14.87313; 17.57384 90; 90; 90 | 3788.14 | Fjellvag, H.; Akporiaye, D.E.; Halvorsen, E.N.; Karlsson, A.; Lillerud, K.P.; Kongshaug, K.O. Crystal structure and MAS-NMR study of rehydrated UiO-7 Solid State Sciences, 2001, 3, 603-611 |
1537047 | CIF | In22 Li4 O33 S42 | P b c a | 28.172; 29.183; 40.094 90; 90; 90 | 32963 | Zheng Nanfeng; Feng Pingyun; Bu Xianhui Pentasupertetrahedral clusters as buildung blocks for a three-dimensional sulfide superlattice Angewandte Chemie (Edition international), 2004, 43, 4753-4755 |
1537221 | CIF | Bi O6 P0.16 Pb2 V0.84 | P b c a | 5.922; 18.396; 11.864 90; 90; 90 | 1292.48 | Labidi, O.; Conflant, P.; Roussel, P.; Drache, M.; Huve, M.; Wignacourt, J.P. Stabilization of a new delta' polymorph in P-substituted Pb2 Bi V O6: Single crystal structure of Pb2 Bi (V0.84 P0.16) O6 and conduction properties of related materials Journal of Solid State Chemistry, 2005, 178, 2247-2255 |
1537228 | CIF | Al0.06 Fe0.096 Mg0.854 O3 Si0.97 | P b c a | 18.2248; 8.7822; 5.1927 90; 90; 90 | 831.112 | Ganguly, J.; Ghose, S. Aluminous orthopyroxene: Order-disorder, thermodynamic properties, and petrologic implications Contributions to Mineralogy and Petrology (23,1969-), 1979, 69, 375-385 |
1537231 | CIF | Al0.088 Mg0.956 O3 Si0.956 | P b c a | 18.1991; 8.78; 5.1666 90; 90; 90 | 825.561 | Ganguly, J.; Ghose, S. Aluminous orthopyroxene: Order-disorder, thermodynamic properties, and petrologic implications Contributions to Mineralogy and Petrology (23,1969-), 1979, 69, 375-385 |
1537406 | CIF | Ge Mn O3 | P b c a | 5.437; 19.245; 9.228 90; 90; 90 | 965.572 | Herpin, P.; Whuler, A.; Boucher, B.; Sougi, M. Etude cristallographique et magnetique de Mn Ge O3 Physica Status Solidi, Sectio B: Basic Research, 1971, 44, 71-84 |
1537552 | CIF | Mo2 O8 U | P b c a | 10.1909; 9.5857; 14.2741 90; 90; 90 | 1394.39 | Krivovichev, S.V.; Berns, P.C. Gamma-U Mo2 O8 - a new polymorph of uranium(IV) dimolybdate Doklady Akad. Nauk, 2004, 394, 761-762 |
1537574 | CIF | Ni P | P b c a | 6.05; 4.881; 6.89 90; 90; 90 | 203.462 | Larsson, E. An X-ray investigation of the Ni-P system and the crystal structures of Ni P and Ni P2 Arkiv foer Kemi, 1965, 23, 335-365 |
1537585 | CIF | Mg O3 Si | P b c a | 18.211; 8.81; 5.203 90; 90; 90 | 834.764 | Lindemann, W. Beitrag zur Enstatitstruktur (Verfeinerung der Parameterwerte ) Neues Jahrbuch fuer Mineralogie. Monatshefte (Band=Jahr) (1950-), 1961, 1961, 226-233 |
1537588 | CIF | C2 N2 Se | P b c a | 8.71; 6.98; 13.41 90; 90; 90 | 815.272 | Linke, K.H.; Lemmer, F. Roentgenographische Kristallstrukturanalyse von Selenidcyanid Zeitschrift fuer Anorganische und Allgemeine Chemie, 1966, 345, 211-216 |
1537589 | CIF | C2 N2 S | P b c a | 8.6; 6.85; 12.8 90; 90; 90 | 754.048 | Linke, K.H.; Lemmer, F. Roentgenographische Cristallstrukturanalyse von Schwefeldicyanid Zeitschrift fuer Anorganische und Allgemeine Chemie, 1966, 345, 203-210 |
1537988 | CIF | Re2 Te5 | P b c a | 13.034; 12.958; 14.24 90; 90; 90 | 2405.06 | Fedorov, V.E.; Mischenko, A.V.; Podberezskaya, N.V. A physico-chemical characterization of the cluster-type rhenium telluride Re6 Te15 Materials Research Bulletin, 1986, 21, 1335-1342 |
1539273 | CIF | Pd Se2 | P b c a | 5.72; 5.8; 7.67 90; 90; 90 | 254.46 | Schubert, K.; Vetter, H.; Breimer, H.; Gunzel, E.; Burkhardt, W.; Wilkens, M.; Haufler, R.; Lukas, H.L.; Wegst, J. Einige strukturelle Ergebnisse an metallischen Phasen. II Naturwissenschaften, 1957, 44, 229-230 |
1539286 | CIF | As5 Pb S9 Tl | P b c a | 10.86; 35.45; 8.16 90; 90; 90 | 3141.49 | Takeuchi, Y.; Nowacki, W.; Ghose, S. The crystal structure of the thallium-lead sulfosalt hutchinsonite Chimia, 1964, 18, 215-217 |
1539341 | CIF | Cs4 H4 O2 S12 Sn5 | P b c a | 13.11; 16.239; 14.232 90; 90; 90 | 3029.9 | Sheldrick, W.S. Zur Kenntnis von Cs4 Sn5 S12 (H2 O)2, ein Caesium(I)-thiostannat(IV) mit fuenf- und sechsfach koordiniertem Zinn Zeitschrift fuer Anorganische und Allgemeine Chemie, 1988, 562, 23-30 |
1539442 | CIF | Hg O2 | P b c a | 6.08; 6.01; 4.8 90; 90; 90 | 175.396 | Vannerberg, N.G. Formation and structure of mercuric peroxides Arkiv foer Kemi, 1959, 13, 515-521 |
1539448 | CIF | Ba H4 O6 | P b c a | 16.837; 6.407; 8.005 90; 90; 90 | 863.537 | Vannerberg, N.G. On the system Ba O2 - H2 O - H2 O2 3. The crystal structure of alpha-, beta-, and gamma-Ba O2 (H2 O2)2 and Ba O2 H2 O2 (H2 O)2 Arkiv foer Kemi, 1959, 14, 125-145 |
1539449 | CIF | Ca0.016 Fe0.666 Mg0.318 O3 Si | P b c a | 18.337; 8.971; 5.232 90; 90; 90 | 860.67 | Smyth, J.R. An orthopyroxene structure up to 850 degrees C American Mineralogist, 1973, 58, 636-648 |
1539692 | CIF | Ga2 S5 Sr2 | P b c a | 12.523; 12.034; 11.18 90; 90; 90 | 1684.85 | Eisenmann, B.; Hofmann, A. Schichtanionen in den Kristallstrukturen der isotypen Verbindungen Sr2 (Ga2 S5), Ba2 (In2 S5) und Ba2 (In2 Se5) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1990, 580, 151-159 |
1539697 | CIF | Ba2 In2 S5 | P b c a | 13.167; 12.723; 11.784 90; 90; 90 | 1974.1 | Eisenmann, B.; Hofmann, A. Schichtanionen in den Kristallstrukturen der isotypen Verbindungen Sr2(Ga2S5), Ba2(In2S5) und Ba2(In2Se5) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1990, 580, 151-159 |
1539701 | CIF | Ba2 In2 Se5 | P b c a | 13.657; 13.182; 12.225 90; 90; 90 | 2200.82 | Eisenmann, B.; Hofmann, A. Schichtanionen in den Kristallstrukturen der isotypen Verbindungen Sr2(Ga2S5), Ba2(In2S5) und Ba2(In2Se5) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1990, 580, 151-159 |
1540038 | CIF | Cl2 N2 S Se Te | P b c a | 8.432; 7.939; 19.974 90; 90; 90 | 1337.09 | Haas, A.; Kasprowski, J.; Pryka, M. Synthese, Strukturen und Eigenschaften von Cl2 Te Se N2 S und (Se2 N2 S)2(2+) (X S O3(-))2 (X= F, C F3) Chemische Berichte, 1992, 125, 789-792 |
1540283 | CIF | C4 Br20 Gd10 K2 | P b c a | 17.121; 13.186; 20.644 90; 90; 90 | 4660.54 | Liess, H.; Steffen, F.; Meyer, G. Qauternary chlorides and bromides with interstitially stabilized double octahedra, A2 (Gd10 (C2)2) Cl19 (A= Rb, Cs), A2 (Gd10 (C2)2) Br10 (A= K, Rb), Rb2 (Tb10 (C2)2) Br19, and K2 (Gd10 (C2)2) Br20 Journal of Alloys Compd., 1997, 246, 242-247 |
1540469 | CIF | C16 H15 Br N | P b c a | 16.0499; 7.6796; 22.6554 90; 90; 90 | 2792.4 | Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect Chem. Sci., 2015 |
1540471 | CIF | C17 H18 Br N | P b c a | 17.503; 8.0333; 21.133 90; 90; 90 | 2971.4 | Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect Chem. Sci., 2015 |
1540473 | CIF | C18 H20 Br N | P b c a | 16.319; 8.0724; 24.455 90; 90; 90 | 3221.5 | Xue, peng chong; Wang, Panpan; Chen, Peng; Yao, Boqi; Gong, Peng; sun, Jiabao; zhang, Zhenqi; Lu, Ran Bright persistent luminescence from pure organic molecules through moderate intermolecular heavy atom effect Chem. Sci., 2015 |
1540481 | CIF | C21 H19 N O4 | P b c a | 9.4116; 15.8331; 24.7415 90; 90; 90 | 3686.8 | Shen, De-Yang; Nguyen, Thi Ngan; Wu, Shwu-Jen; Shiao, Young-Ji; Hung, Hsin-Yi; Kuo, Ping-Chung; Kuo, Daih-Huang; Thang, Tran Dinh; Wu, Tian-Shung γ- and δ-Lactams from the Leaves of Clausena lansium. Journal of natural products, 2015, 78, 2521-2530 |
1540489 | CIF | C38 H44 F12 N O3 P3 Pd | P b c a | 14.361; 22.678; 25.532 90; 90; 90 | 8315 | Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts Chem. Sci., 2016, 7, 737 |
1540497 | CIF | C62.9 H62.9 Cl2.71 | P b c a | 14.3269; 17.0916; 42.481 90; 90; 90 | 10402.3 | Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures Chem. Sci., 2016, 7, 896 |
1540499 | CIF | C39 H30 | P b c a | 16.2912; 15.2859; 43.96 90; 90; 90 | 10947.2 | Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures Chem. Sci., 2016, 7, 896 |
1540594 | CIF | C21 H16 O4 | P b c a | 11.3289; 14.3997; 19.8404 90; 90; 90 | 3236.6 | Zheng, Yang; Mao, Jincheng; Weng, Yuecheng; Zhang, Xiaolu; Xu, Xinfang Cyclopentadiene Construction via Rh-Catalyzed Carbene/Alkyne Metathesis Terminated with Intramolecular Formal [3 + 2] Cycloaddition. Organic letters, 2015, 17, 5638-5641 |
1540604 | CIF | C15 H13 B N4 | P b c a | 10.6778; 8.9179; 27.039 90; 90; 90 | 2574.75 | Adachi, Shinya; Liew, Sean K.; Lee, C. Frank; Lough, Alan; He, Zhi; Denis, Jeffrey D St; Poda, Gennady; Yudin, Andrei K. Condensation-Driven Assembly of Boron-Containing Bis(Heteroaryl) Motifs Using a Linchpin Approach. Organic letters, 2015, 17, 5594-5597 |
1540611 | CIF | C60 H56 Si4 | P b c a | 16.685; 16.536; 37.285 90; 90; 90 | 10287 | Fu, Xiangyu; Zhao, Dahui Cyclo-oligomerization of 6,12-Diethynyl Indeno[1,2-b]fluorenes via Diradical Intermediates. Organic letters, 2015, 17, 5694-5697 |
1540641 | CIF | C16 H18.37 N4 O7.68 Y | P b c a | 14.6954; 14.3307; 18.2161 90; 90; 90 | 3836.2 | Loukopoulos, Edward; Griffiths, Kieran; Akien, Geoffrey; Kourkoumelis, Nikolaos; Abdul-Sada, Alaa; Kostakis, George Dinuclear Lanthanide (III) Coordination Polymers in a Domino Reaction Inorganics, 2015, 3, 448 |
1540652 | CIF | C27 H63 Br6 Fe3 N9 | P b c a | 22.0243; 16.0659; 23.6931 90; 90; 90 | 8383.6 | Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts Polym. Chem., 2016, 7, 1037 |
1540665 | CIF | C22 H20 N4 O4 Zn | P b c a | 18.6866; 15.8553; 22.302 90; 90; 90 | 6607.7 | Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation CrystEngComm, 2016, 18, 1600 |
1540707 | CIF | C21 H16 F2 N4 O4 | P b c a | 24.4634; 6.1982; 25.443 90; 90; 90 | 3857.9 | Dang, Hester; Whittaker, Aaron M.; Lalic, Gojko Catalytic activation of a single C‒F bond in trifluoromethyl arenes Chem. Sci., 2016, 7, 505 |
1540721 | CIF | C43 H40 F6 N3 P3 Ru S | P b c a | 18.6608; 19.993; 21.8841 90; 90; 90 | 8164.6 | de Camargo, Mariana S.; da Silva, Monize M.; Correa, Rodrigo S.; Vieira, Sara D.; Castelli, Silvia; D'Anessa, Ilda; De Grandis, Rone; Varanda, Eliana; Deflon, Victor M.; Desideri, Alessandro; Batista, Alzir A. Inhibition of human DNA topoisomerase IB by nonmutagenic ruthenium(ii)-based compounds with antitumoral activity. Metallomics : integrated biometal science, 2016, 8, 179-192 |
1540722 | CIF | C42 H39 F6 N4 P3 Ru S | P b c a | 18.3794; 19.6522; 21.8753 90; 90; 90 | 7901.3 | de Camargo, Mariana S.; da Silva, Monize M.; Correa, Rodrigo S.; Vieira, Sara D.; Castelli, Silvia; D'Anessa, Ilda; De Grandis, Rone; Varanda, Eliana; Deflon, Victor M.; Desideri, Alessandro; Batista, Alzir A. Inhibition of human DNA topoisomerase IB by nonmutagenic ruthenium(ii)-based compounds with antitumoral activity. Metallomics : integrated biometal science, 2016, 8, 179-192 |
1540957 | CIF | As Cs Se2 | P b c a | 6.755; 9.689; 16.645 90; 90; 90 | 1089.4 | Sheldrick, W.S.; Haeusler, H.J. Zur Kenntnis von Alkalimetaselenoarseniten. Darstellung und Kristallstrukturen von M As Se2, M = K, Rb, Cs Zeitschrift fuer Anorganische und Allgemeine Chemie, 1988, 561, 139-148 |
1541011 | CIF | O3 Pb Rb4 | P b c a | 6.812; 11.7871; 19.7991 90; 90; 90 | 1589.74 | Stoll, H.; Brazel, B.; Hoppe, R. Neue Oxoplumbate(II) mit Inselstruktur: Rb4 (Pb O3) und Cs4 (Pb O3) Zeitschrift fuer Anorganische und Allgemeine Chemie, 1988, 564, 45-60 |
1541034 | CIF | H8 O8 P4 U | P b c a | 7.467; 13.394; 19.904 90; 90; 90 | 1990.66 | Tanner, P.A.; Sze, T.; Mak, T.C.W.; Yip, W. Synthesis, crystal structure and vibrational spectra of uranium(IV)hypophosphite Journal of Crystallographic and Spectroscopic Research, 1992, 22, 25-30 |
1541344 | CIF | H4 Na2 O6 W | P b c a | 8.474; 10.602; 13.865 90; 90; 90 | 1245.65 | Okada, K.; Morikawa, H.; Marumo, F.; Iwai, S.I. Crystal structure of Na2 W O4 (H2 O)2 Bulletin of the Tokyo Institute of Technology, 1974, 120, 7-11 |
1541351 | CIF | H4 I4 K2 O2 Pt | P b c a | 12.934; 7.145; 13.626 90; 90; 90 | 1259.22 | Olsson, L.F.; Oskarsson, A. The crystal structure of potassium tetraiodoplatinate(II) dihydrate Acta Chemica Scandinavica (43,1989-), 1989, 43, 811-812 |
1541712 | CIF | C8 K4 Mo2 N8 O5 S8 | P b c a | 16.802; 20.311; 8.783 90; 90; 90 | 2997.33 | Bino, A.; Cohen, S.; Tsimering, L. The Crystal Structure of Potassium mue-oxo-bis(oxotetra(Isothio-cyanato)molybdate(V)) Tetrahydrate Inorganica Chimica Acta, 1983, 77, 79-80 |
1541728 | CIF | C9 H16 Cu2 N4 | P b c a | 12.848; 13.37; 13.967 90; 90; 90 | 2399.22 | Pretsch, T.; Hartl, H.; Bruedgam, I. Konformation und Vernetzung von (Cu C N)6 - Ringen in polymeren Cyanocupraten(I) (infty n)(Cu2 (C N)(3))(-) (n = 2, 3) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 353-360 |
1541736 | CIF | C H12 Cl4 Cu N6 O | P b c a | 10.07; 11.603; 18.39 90; 90; 90 | 2148.73 | Savel'eva, Z.A.; Romanenko, G.V.; Larionov, S.V.; Sheludyakova, L.A. Synthesis and structure of a complex with the coordinated triaminoguanidinium(2+) ion, (Cu (TAG H2) Cl3) Cl . (H2 O) Polyhedron, 2000, 19, 1737-1740 |
1541791 | CIF | Ce H8 N3 O13 | P b c a | 11.756; 12.901; 13.522 90; 90; 90 | 2050.8 | Milinski, N.; Radivojevic, P.; Djuric, S.; Ribar, B. Tetraaquatri(nitrato)cerium(III), Ce (H2 O)4 (N O3)3 Crystal Structure Communications, 1982, 11, 1241-1244 |
1541866 | CIF | C3 H2 Cs Cu2 N3 O | P b c a | 8.7597; 6.7809; 27.113 90; 90; 90 | 1610.48 | Pretsch, T.; Bruedgam, I.; Hartl, H. Konformation und Vernetzung von (Cu C N)6 - Ringen in polymeren Cyanocupraten(I) (infty n)(Cu2 (C N)(3))(-) (n = 2, 3) Zeitschrift fuer Anorganische und Allgemeine Chemie, 2004, 630, 353-360 |
1541868 | CIF | Ge Na2 O7 Ti Zn2 | P b c a | 20.453; 11.844; 5.221 90; 90; 90 | 1264.76 | Sandomirskii, P.A.; Evstigneyeva, T.; Simonov, M.A.; Belov, N.V. Crystal structure of Na2 Ti Zn2 Ge O4 O3 Zhurnal Strukturnoi Khimii (Issue-No. from 1981), 1976, 17, 1080-1083 |
1541925 | CIF | C25 H32 O3 S | P b c a | 16.05; 11.2326; 24.8893 90; 90; 90 | 4487.1 | Chang, Meng-Yang; Cheng, Yu-Chieh Synthesis of Substituted Tetralins and Benzosuberans via BF3·OEt2-Mediated Formal (4 + 2) and (5 + 2) Stereocontrolled Cycloaddition of 4-Alkenols with Veratrol. Organic letters, 2016, 18, 608-611 |
1541947 | CIF | Bi Cr H O5 | P b c a | 11.311; 9.728; 7.314 90; 90; 90 | 804.784 | Aurivillius, B.; Loewenhielm, A. The crystal structure of the orthorhombic modification of Bi O H Cr O4. A refinement of the structure of monoclinic Bi O H Cr O4 Acta Chemica Scandinavica (1-27,1973-42,1988), 1964, 18, 1937-1957 |
1542044 | CIF | B H4 Li O4 | P b c a | 9.169; 7.958; 8.548 90; 90; 90 | 623.721 | Kutschabsky, L.; Reck, G. Anwendung der Methode der linearen Strukturfaktorgleichungssysteme zur Bestimmung des Strukturprinzips zentrosymmetrischer Strukturen aus Harkerschnitten Monatsberichte der Deutschen Akademie der Wissenschaften zu Berlin, 1966, 8, 648-654 |
1542046 | CIF | Fe Li5 O4 | P b c a | 9.218; 9.213; 9.159 90; 90; 90 | 777.832 | Luge, R.; Hoppe, R. Zur Kenntnis von Li5 Fe O4. Mit einer Notiz ueber Mischkristalle Na5 Fe1-x Gax O4 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1984, 513, 141-150 |
1542271 | CIF | C18 H34 Cr N4 | P b c a | 11.3075; 17.5868; 20.908 90; 90; 90 | 4157.8 | Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L. A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity Chem. Sci., 2016, 7, 2532 |
1542273 | CIF | C20 H36 Cr N4 O | P b c a | 16.6334; 14.8352; 18.1191 90; 90; 90 | 4471.1 | Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L. A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity Chem. Sci., 2016, 7, 2532 |
1542300 | CIF | C42 H40 F3 Ir N6 O3 S3 | P b c a | 13.346; 19.6302; 30.1437 90; 90; 90 | 7897.2 | Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging Chem. Sci., 2016, 7, 3123 |
1542342 | CIF | C10 H12 F4 N2 O | P b c a | 7.1579; 12.4992; 24.3054 90; 90; 90 | 2174.6 | Charpentier, Julie; Früh, Natalja; Foser, Simon; Togni, Antonio Tandem Radical Fluoroalkylation-Cyclization: Synthesis of Tetrafluoro Imidazopyridines. Organic letters, 2016, 18, 756-759 |
1542444 | CIF | C18 H12 N2 O2 | P b c a | 16.336; 7.549; 21.555 90; 90; 90 | 2658 | Li, Ting; Wang, Zhiqiang; Xu, Kun; Liu, Wenmin; Zhang, Xu; Mao, Wutao; Guo, Yongming; Ge, Xiaolin; Pan, Fei Rhodium-Catalyzed/Copper-Mediated Tandem C(sp(2))-H Alkynylation and Annulation: Synthesis of 11-Acylated Imidazo[1,2-a:3,4-a']dipyridin-5-ium-4-olates from 2H-[1,2'-Bipyridin]-2-ones and Propargyl Alcohols. Organic letters, 2016, 18, 1064 |
1542455 | CIF HKL Paper | C10 H10 N4 O | P b c a | 10.2208; 10.8693; 18.1059 90; 90; 90 | 2011.44 | Cunha, Anna C.; Jordão, Alessandro K.; de Souza, Maria C. B. V.; Ferreira, Vitor F.; de Almeida, Maria C. B.; Wardell, James L.; Tiekink, Edward R. T. 1-Anilino-5-methyl-1<i>H</i>-1,2,3-triazole-4-carbaldehyde IUCrData, 2016, 1, x160038 |
1542492 | CIF HKL Paper | C25 H20 O12 | P b c a | 20.944; 9.316; 24.309 90; 90; 90 | 4743 | Moriguchi, Tetsuji; Sakao, Kozue; Hou, De-Xing; Yoza, Kenji 3,5,7-Triacetoxy-2-(3,4-diacetoxyphenyl)-4<i>H</i>-1-benzopyran-4-one IUCrData, 2016, 1, x160028 |
1542531 | CIF HKL Paper | C26 H30 Cl4 N6 Ni2 O2 | P b c a | 11.913; 11.445; 20.7458 90; 90; 90 | 2828.6 | Glazier, Brian M.; Golen, James A.; Manke, David R. Di-μ-chlorido-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)nickel(II)] IUCrData, 2016, 1, x160259 |
1542558 | CIF | C68 H74 N Ni O3 P3 S3 Si3 | P b c a | 27.4702; 17.1432; 27.9778 90; 90; 90 | 13175.5 | Chiou, Tzung-Wen; Tseng, Yen-Ming; Lu, Tsai-Te; Weng, Tsu-Chien; Sokaras, Dimosthenes; Ho, Wei-Chieh; Kuo, Ting-Shen; Jang, Ling-Yun; Lee, Jyh-Fu; Liaw, Wen-Feng [NiIII(OMe)]-mediated reductive activation of CO2affording a Ni(κ1-OCO) complex Chem. Sci., 2016, 7, 3640 |
1542559 | CIF | C68 H74 N2 Ni O2 P3 S3 Si3 | P b c a | 27.5733; 17.0409; 27.8585 90; 90; 90 | 13090 | Chiou, Tzung-Wen; Tseng, Yen-Ming; Lu, Tsai-Te; Weng, Tsu-Chien; Sokaras, Dimosthenes; Ho, Wei-Chieh; Kuo, Ting-Shen; Jang, Ling-Yun; Lee, Jyh-Fu; Liaw, Wen-Feng [NiIII(OMe)]-mediated reductive activation of CO2affording a Ni(κ1-OCO) complex Chem. Sci., 2016, 7, 3640 |
1542575 | CIF | C21 H15 Br N4 | P b c a | 13.3161; 7.7509; 33.992 90; 90; 90 | 3508.4 | Cai, Qun; Li, Deng-Kui; Zhou, Rong-Rong; Shu, Wen-Ming; Wu, Yan-Dong; Wu, An-Xin Acid-Catalyzed Multicomponent Tandem Cyclizations: Access to Polyfunctional Dihydroindolizino[8,7-b]indoles. Organic letters, 2016, 18, 1342-1345 |
1542631 | CIF | C17 H22 N2 O5 | P b c a | 8.5688; 19.141; 21.222 90; 90; 90 | 3480.7 | Izumi, Sanae; Kobayashi, Yusuke; Takemoto, Yoshiji Catalytic Asymmetric Synthesis of anti-α,β-Diamino Acid Derivatives. Organic letters, 2016, 18, 696-699 |
1542662 | CIF | C18 H9 O P S2 | P b c a | 8.0119; 20.775; 34.265 90; 90; 90 | 5703.3 | Yamamura, Masaki; Hasegawa, Toru; Nabeshima, Tatsuya Synthesis of Phosphorus-Centered and Chalcogen-Bridged Concave Molecules: Modulation of Bowl Geometries and Packing Structures by Changing Bridging Atoms. Organic letters, 2016, 18, 816-819 |
1542671 | CIF | C28 H20 N2 O6 S | P b c a | 13.7519; 14.9993; 22.6562 90; 90; 90 | 4673.27 | Kumar, N. N. Bhuvan; Kutateladze, Andrei G. Photoassisted Diversity-Oriented Synthesis: Intramolecular Cycloadditions of Photogenerated Azaxylylenes with Oxazole Pendants, and Subsequent Postphotochemical Multicomponent Modifications. Organic letters, 2016, 18, 460-463 |
1542680 | CIF | C16 H12 O3 | P b c a | 10.0417; 18.527; 26.755 90; 90; 90 | 4977.6 | More, Atul A.; Ramana, Chepuri V. o-Quinone Methides via Oxone-Mediated Benzofuran Oxidative Dearomatization and Their Intramolecular Cycloaddition with Carbonyl Groups: An Expeditious Construction of the Central Tetracyclic Core of Integrastatins, Epicoccolide A, and Epicocconigrone A. Organic letters, 2016, 18, 612-615 |
1542689 | CIF | C11 H10 N4 O3 | P b c a | 10.487; 13.0919; 16.145 90; 90; 90 | 2216.6 | Pawar, Govind Goroba; Brahmanandan, Abhilashamole; Kapur, Manmohan Palladium(II)-Catalyzed, Heteroatom-Directed, Regioselective C-H Nitration of Anilines Using Pyrimidine as a Removable Directing Group. Organic letters, 2016, 18, 448-451 |
1542744 | CIF | C14 H17 N O3 | P b c a | 9.1055; 9.4967; 30.8939 90; 90; 90 | 2671.46 | Zhu, Chuanle; Li, Jiawei; Chen, Pengquan; Wu, Wanqing; Ren, Yanwei; Jiang, Huanfeng Transition-Metal-Free Cyclopropanation of 2-Aminoacrylates with N-Tosylhydrazones: A General Route to Cyclopropane α-Amino Acid with Contiguous Quaternary Carbon Centers. Organic letters, 2016, 18, 1470-1473 |
1542887 | CIF HKL | C16 H13 N O2 | P b c a | 14.6122; 8.3882; 20.911 90; 90; 90 | 2563.1 | Sharmila, N.; Sundar, T. V.; Satish, G.; Venkatesan, P. 1-Benzyl-5-methylindoline-2,3-dione IUCrData, 2016, 1, x160381 |
1542902 | CIF HKL Paper | C18 H18 O3 | P b c a | 16.1115; 7.704; 23.873 90; 90; 90 | 2963.2 | Queiroz, Jaqueline Evangelista; Vila Verde, Giuliana Muniz; Pereira, Mariette Miguens; Ramos Silva, Manuela; Aquino, Gilberto L. B. 4-(4-Methoxyphenyl)-5,7-dimethylchroman-2-one IUCrData, 2016, 1, x160430 |
1542917 | CIF HKL | C16 H26 Ca N4 O6 S2 | P b c a | 9.3535; 13.8812; 16.9106 90; 90; 90 | 2195.64 | N. Golovnev; M. Molokeev; A. Samoilo; V. Atuchin Influence of alkyl substituents in 1,3-diethyl-2-thiobarbituric acid on the coordination environment in M(H2O)2(1,3-diethyl-2-thiobarbiturate)2 M = Ca2+, Sr2+ Journal of Coordination Chemistry, 2016, 69, 957-965 |
1542918 | CIF HKL | C16 H26 N4 O6 S2 Sr | P b c a | 9.529; 14.161; 17.094 90; 90; 90 | 2306.7 | N. Golovnev; M. Molokeev; A. Samoilo; V. Atuchin Influence of alkyl substituents in 1,3-diethyl-2-thiobarbituric acid on the coordination environment in M(H2O)2(1,3-diethyl-2-thiobarbiturate)2 M = Ca2+, Sr2+ Journal of Coordination Chemistry, 2016, 69, 957-965 |
1542944 | CIF | C16 H11 F5 O | P b c a | 22.905; 7.8263; 15.601 90; 90; 90 | 2796.7 | Wu, Xin-Xing; Chen, Wen-Long; Shen, Yi; Chen, Si; Xu, Peng-Fei; Liang, Yong-Min Palladium-Catalyzed Domino Heck/Intermolecular C-H Bond Functionalization: Efficient Synthesis of Alkylated Polyfluoroarene Derivatives. Organic letters, 2016, 18, 1784-1787 |
1542966 | CIF | C23 H17 Cl N2 O S2 | P b c a | 9.1702; 18.4101; 24.3386 90; 90; 90 | 4108.9 | Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE) Chem. Sci., 2016, 7, 4485 |
1542996 | CIF | C17 H13 F N2 O3 | P b c a | 7.3389; 15.6186; 23.534 90; 90; 90 | 2697.5 | Duret, Guillaume; Quinlan, Robert; Martin, Rainer E.; Bisseret, Philippe; Neuburger, Markus; Gandon, Vincent; Blanchard, Nicolas Inverse Electron-Demand [4 + 2]-Cycloadditions of Ynamides: Access to Novel Pyridine Scaffolds. Organic letters, 2016, 18, 1610-1613 |
1543006 | CIF | C34 H24 Br2 F2 | P b c a | 8.29; 16.342; 39.875 90; 90; 90 | 5402 | Chang, Meng-Yang; Cheng, Yu-Chieh Synthesis of 1-Aryltetralins and 1-Arylnaphthalenes via (4 + 2) Annulation of β-Ketosulfones with Styryl Bromides. Organic letters, 2016, 18, 1682-1685 |
1543012 | CIF | C29 H20 F5 N O2 S2 | P b c a | 19.4188; 11.5902; 22.8272 90; 90; 90 | 5137.7 | Qiu, Yi-Feng; Song, Xian-Rong; Li, Ming; Zhu, Xin-Yu; Wang, An-Qi; Yang, Fang; Han, Ya-Ping; Zhang, Heng-Rui; Jin, Dong-Po; Li, Ying-Xiu; Liang, Yong-Min BF3·OEt2-AgSCF3 Mediated Trifluoromethylthiolation/Cascade Cyclization of Propynols: Synthesis of 4-((Trifluoromethyl)thio)-2H-chromene and 4-((Trifluoromethyl)thio)-1,2-dihydroquinoline Derivatives. Organic letters, 2016, 18, 1514-1517 |
1543039 | CIF HKL Paper | C22 H20 N2 O4 | P b c a | 15.1498; 7.4949; 16.4795 90; 90; 90 | 1871.19 | Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid 1,1'-(Hexane-1,6-diyl)bis(indoline-2,3-dione) IUCrData, 2016, 1, x160542 |
1543040 | CIF HKL Paper | C24 H20 N4 O2 S | P b c a | 9.8513; 15.0619; 28.931 90; 90; 90 | 4292.76 | Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Ahmed, Gamal A.-W.; Albayati, Mustafa R. 5-Acetyl-2-{[(1<i>H</i>-benzimidazol-2-yl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile IUCrData, 2016, 1, x160492 |
1543052 | CIF HKL | C6 H12 O6 | P b c a | 14.1313; 11.0757; 9.36191 90; 90; 90 | 1465.27 | Bekö, Sándor L.; Alig, Edith; Schmidt, Martin U.; van de Streek, Jacco On the correlation between hydrogen bonding and melting points in the inositols IUCrJ, 2013, 1, 61-73 |
1543099 | CIF | C22 H19 N O3 | P b c a | 18.7479; 9.6392; 19.3565 90; 90; 90 | 3498 | Gollapelli, Krishna Kumar; Kallepu, Shivakrishna; Govindappa, Nagendra; Nanubolu, Jagadeesh babu; Chegondi, Rambabu Carbonyl-Assisted Reverse Regioselective Cascade Annulation of 2-Acetylenic Ketones Triggered by Ru-Catalyzed C‒H Activation Chem. Sci., 2016 |
1543125 | CIF HKL Paper | C10 H8 O4 | P b c a | 13.217; 9.831; 13.627 90; 90; 90 | 1771 | Bai, Jun-Hua; Dong, Jin-Long 7-Hydroxy-4-(hydroxymethyl)coumarin IUCrData, 2016, 1, x160598 |
1543165 | CIF HKL Paper | C17 H13 N O2 | P b c a | 8.2585; 7.2677; 44.4667 90; 90; 90 | 2668.9 | Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid 1-[(2<i>E</i>)-3-Phenylprop-2-en-1-yl]-1<i>H</i>-indole-2,3-dione IUCrData, 2016, 1, x160633 |
1543176 | CIF HKL | C17 H16 N2 O | P b c a | 16.5042; 9.6896; 18.1221 90; 90; 90 | 2898.07 | Essaghouani, Abdelhanine; Bouzian, Younos; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen 1-Ethyl-4-phenyl-1<i>H</i>-1,5-benzodiazepin-2(3<i>H</i>)-one IUCrData, 2016, 1, x160661 |
1543235 | CIF | C22 H19 N O | P b c a | 14.2222; 12.0292; 19.1416 90; 90; 90 | 3274.8 | Gu, Zheng-Yang; Liu, Cheng-Guo; Wang, Shun-Yi; Ji, Shun-Jun Pd-Catalyzed Intramolecular Heck Reaction, C(sp(2))-H Activation, 1,4-Pd Migration, and Aminopalladation: Chemoselective Synthesis of Dihydroindeno[1,2,3-kl]acridines and 3-Arylindoles. Organic letters, 2016, 18, 2379-2382 |
1543254 | CIF HKL Paper | C8 H3 Cl2 N O2 | P b c a | 8.6253; 7.125; 26.289 90; 90; 90 | 1615.6 | Mastrolia, Ronald J.; Golen, James A.; Manke, David R. 4,6-Dichloro-1<i>H</i>-indole-2,3-dione IUCrData, 2016, 1, x160695 |
1543272 | CIF | C23 H15 N | P b c a | 19.533; 7.5052; 21.247 90; 90; 90 | 3114.8 | Singh, Karandeep; Singh, Ajay K.; Singh, Devendra; Singh, Rakhi; Sharma, Siddharth Pd/Fe3O4supported on nitrogen-doped reduced graphene oxide for room-temperature isocyanide insertion reactions Catal. Sci. Technol., 2016, 6, 3723 |
1543291 | CIF | C55 H116 K2 O16 S2 Si4 U | P b c a | 19.2882; 19.378; 40.5378 90; 90; 90 | 15151.7 | Andrez, 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 |
1543304 | CIF | C10 H12 N2 O | P b c a | 13.6534; 6.92272; 18.544 90; 90; 90 | 1752.75 | Arteaga, Fernando Arteaga; Liu, Zijian; Brewitz, Lennart; Chen, Jianyang; Sun, Bo; Kumagai, Naoya; Shibasaki, Masakatsu Direct Catalytic Asymmetric Mannich-Type Reaction of Alkylamides. Organic letters, 2016, 18, 2391-2394 |
1543315 | CIF | C38 H33 B Fe N6 O3 | P b c a | 17.503; 10.588; 36.844 90; 90; 90 | 6828 | Sheet, Debobrata; Paine, Tapan Kanti Aerobic alcohol oxidation and oxygen atom transfer reactions catalyzed by a nonheme iron(ii)‒α-keto acid complex Chem. Sci., 2016, 7, 5322 |
1543320 | CIF HKL Paper | C13 H9 Br Cl N3 | P b c a | 12.1163; 9.7911; 20.9428 90; 90; 90 | 2484.48 | Bourichi, Selma; Kandri Rodi, Youssef; Ouzidan, Younes; Mague, Joel T.; Essassi, El Mokhtar; Zouihri, Hafid 6-Bromo-2-(4-chlorophenyl)-3-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine IUCrData, 2016, 1, x160763 |
1543324 | CIF | C36 H10 F10 S2 | P b c a | 9.5254; 12.2658; 24.0109 90; 90; 90 | 2805.35 | Marshall, Jonathan L.; Uchida, Kazuyuki; Frederickson, Conerd K.; Schütt, Christian; Zeidell, Andrew M.; Goetz, Katelyn P.; Finn, Tristan W.; Jarolimek, Karol; Zakharov, Lev N.; Risko, Chad; Herges, Rainer; Jurchescu, Oana D.; Haley, Michael M. Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character Chem. Sci., 2016, 7, 5547 |
1543366 | CIF | C18.5 H22 Cl N O8 | P b c a | 7.5805; 17.2484; 32.295 90; 90; 90 | 4222.62 | Zhou, Qing-Fa; Zhang, Kui; Cai, Lingchao; Kwon, Ohyun Phosphine-Catalyzed Intramolecular Cyclizations of α-Nitroethylallenoates Forming (Z)-Furanone Oximes. Organic letters, 2016, 18, 2954-2957 |
1543400 | CIF | C15 H15 N O | P b c a | 9.7259; 12.0868; 19.6834 90; 90; 90 | 2313.9 | Pusch, Stefan; Schollmeyer, Dieter; Opatz, Till A Light-Induced Vinylogous Nazarov-Type Cyclization. Organic letters, 2016, 18, 3043-3045 |
1543401 | CIF | C18 H19 N O3 | P b c a | 13.6505; 13.7482; 15.8641 90; 90; 90 | 2977.2 | Pusch, Stefan; Schollmeyer, Dieter; Opatz, Till A Light-Induced Vinylogous Nazarov-Type Cyclization. Organic letters, 2016, 18, 3043-3045 |
1543405 | CIF | C18 H19 N | P b c a | 15.415; 8.1212; 21.625 90; 90; 90 | 2707.2 | Stepherson, Jacob R.; Ayala, Caitlan E.; Tugwell, Thomas H.; Henry, Jeffrey L.; Fronczek, Frank R.; Kartika, Rendy Carbazole Annulation via Cascade Nucleophilic Addition-Cyclization Involving 2-(Silyloxy)pentadienyl Cation. Organic letters, 2016, 18, 3002-3005 |
1543431 | CIF | C2 H11 B10 N O2 | P b c a | 9.8848; 9.8277; 20.924 90; 90; 90 | 2032.7 | Zhao, Da; Xie, Zuowei [3-N2-o-C2B10H11][BF4]: a useful synthon for multiple cage boron functionalizations of o-carborane Chem. Sci., 2016, 7, 5635 |
1543520 | CIF | C57 H86 N2 Pd Zn4 | P b c a | 25.6662; 25.5792; 35.0042 90; 90; 90 | 22981 | Freitag, Kerstin; Molon, Mariusz; Jerabek, Paul; Dilchert, Katharina; Rösler, Christoph; Seidel, Rüdiger W.; Gemel, Christian; Frenking, Gernot; Fischer, Roland A. Zn⋯Zn interactions at nickel and palladium centers Chem. Sci., 2016, 7, 6413 |
1543527 | CIF | C20 H15 N O2 S | P b c a | 10.7582; 15.1305; 20.2832 90; 90; 90 | 3301.64 | Chen, Fei; Meng, Qiang; Han, Shang-Qing; Han, Bing tert-Butyl Hydroperoxide (TBHP)-Initiated Vicinal Sulfonamination of Alkynes: A Radical Annulation toward 3-Sulfonylindoles. Organic letters, 2016, 18, 3330-3333 |
1543535 | CIF HKL Paper | C18 H16 N2 O2 S | P b c a | 11.7526; 10.4082; 25.5656 90; 90; 90 | 3127.27 | Sebbar, Nada Kheira; Ellouz, Mohamed; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen 4-[(3-Phenyl-4,5-dihydroisoxazol-5-yl)methyl]-2<i>H</i>-benzo[<i>b</i>][1,4]thiazin-3(4<i>H</i>)-one IUCrData, 2016, 1, x161012 |
1543550 | CIF | C20 H26 Cl N O Os | P b c a | 12.8543; 18.2467; 32.5773 90; 90; 90 | 7641 | Preshendren Govender; Fabio Edafe; Banothile C.E. Makhubela; Paul J. Dyson; Bruno Therrien; Gregory S. Smith Neutral and cationic osmium(II)-arene metallodendrimers: Synthesis, characterisation and anticancer activity Inorganica Chimica Acta, 2014, 112-120 |
1543563 | CIF | C8 H8 Cl5 N4 O2 P3 | P b c a | 11.2649; 8.5931; 34.9591 90; 90; 90 | 3384.06 | Hanife Ibisoglu; Serap Besli; Fatma Yuksel; Ilker Un; Adem Kilic Investigation of nucleophilic substitution pathway for the reactions of 1,4-benzodioxan-6-amine with chlorocyclophosphazenes Inorganica Chimica Acta, 2014, 216-226 |
1543627 | CIF | C9 H7 N O5 S | P b c a | 11.021; 9.374; 18.596 90; 90; 90 | 1921.2 | Shi, Lei; Yang, Jian Hai; Zeng, Hai Bo; Chen, Yong Mei; Yang, Sheng Chun; Wu, Chao; Zeng, Hao; Yoshihito, Osada; Zhang, Qiqing Carbon dots with high fluorescence quantum yield: the fluorescence originates from organic fluorophores. Nanoscale, 2016, 8, 14374-14378 |
1543631 | CIF | C38 H26 | P b c a | 15.7112; 15.4073; 21.2986 90; 90; 90 | 5155.7 | Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R. Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s Chem. Sci., 2016, 7, 6357 |
1543635 | CIF | C38 H22 F4 | P b c a | 15.7303; 15.2924; 23.248 90; 90; 90 | 5592.4 | Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R. Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s Chem. Sci., 2016, 7, 6357 |
1543671 | CIF HKL | C24 H18 F N3 O2 | P b c a | 18.4827; 9.8467; 22.0681 90; 90; 90 | 4016.3 | Madan Kumar, S.; Vasantha, Kumar; Boja, Poojary; Byrappa, K.; Warad, Ismail Ethyl 2-(4-cyanophenyl)-1-(4-fluorobenzyl)-1<i>H</i>-benzo[<i>d</i>]imidazole-5-carboxylate IUCrData, 2016, 1, x161124 |
1543738 | CIF HKL Paper | C26 H26 Si | P b c a | 7.49; 18.968; 28.635 90; 90; 90 | 4068 | Medvedev, Michael G.; Izmer, Vyatcheslav V.; Kononovich, Dmitry S.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z. 5-Butyl-5-(2-methyl-1<i>H</i>-inden-1-yl)-5<i>H</i>-dibenzo[<i>b</i>,<i>d</i>]silole IUCrData, 2016, 1, x161151 |
1543892 | CIF | C20 H12 N2 O S2 | P b c a | 7.3899; 13.5531; 32.123 90; 90; 90 | 3217.3 | Wu, Qian; Chen, Ying; Yan, Dingyuan; Zhang, Muyue; Lu, Yi; Sun, Wei-Yin; Zhao, Jing Unified synthesis of mono/bis-arylated phenols via Rh(III)-catalyzed dehydrogenative coupling. Chemical science, 2017, 8, 169-173 |
1543940 | CIF HKL | C12 H32 Br4 N2 Zn | P b c a | 12.383; 13.145; 26.51 90; 90; 90 | 4315 | Seck, Gorgui Awa; Sene, Aboubacary; Diop, Libasse; Schmidt, Horst Bis(triethylammonium) tetrabromidozincate IUCrData, 2016, 1, x161317 |
1544030 | CIF HKL Paper | C36 H30 S4 | P b c a | 8.717; 16.325; 21.043 90; 90; 90 | 2994.5 | Moriguchi, Tetsuji; Yakeya, Daisuke; Jalli, Venkataprasad; Tsuge, Akihiko Bis[3,11-dithiatricyclo[11.3.1.15,9]octadeca-1(17),5,7,9(18),13,15-hexaen-7-yl]-1,3-butadiyne IUCrData, 2016, 1 |
1544039 | CIF | C48 H40 N2 O4 S2 | P b c a | 19.904; 8.9529; 24.941 90; 90; 90 | 4444.4 | Paek, S.; Zimmermann, I.; Gao, P.; Gratia, P.; Rakstys, K.; Grancini, G.; Nazeeruddin, Mohammad Khaja; Rub, Malik Abdul; Kosa, Samia A.; Alamry, Khalid A.; Asiri, Abdullah M. Donor‒π‒donor type hole transporting materials: marked π-bridge effects on optoelectronic properties, solid-state structure, and perovskite solar cell efficiency Chem. Sci., 2016, 7, 6068 |
1544147 | CIF HKL Paper | C7 H7 F N2 O2 | P b c a | 13.1126; 6.8916; 16.1831 90; 90; 90 | 1462.41 | Gajda, Katarzyna; Dziuk, Błażej; Daszkiewicz, Zdzisław 4-Fluoro-<i>N</i>-methyl-<i>N</i>-nitroaniline IUCrData, 2016, 1, x161446 |
1544189 | CIF | C24 H27 Br N2 O2 | P b c a | 13.636; 10.254; 30.557 90; 90; 90 | 4272.6 | Lu, Kui; Ma, Yantao; Gao, Meile; Liu, Yan; Li, Ming; Xu, Chuanming; Zhao, Xia; Yu, Peng 1,4-Addition Ugi Reaction Using Cyclic α,β-Unsaturated Ketone as Substrate. Organic letters, 2016, 18, 5038-5041 |
1544237 | CIF | C64 H102 Dy2 O8 | P b c a | 19.3566; 15.6297; 20.726 90; 90; 90 | 6270.4 | Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers. Chemical science, 2017, 8, 1288-1294 |
1544238 | CIF | C64 H102 O8 Y2 | P b c a | 19.3525; 15.6285; 20.6896 90; 90; 90 | 6257.6 | Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers. Chemical science, 2017, 8, 1288-1294 |
1544239 | CIF | C64 H102 Gd2 O8 | P b c a | 19.3419; 15.68151; 20.772 90; 90; 90 | 6300.36 | Xiong, Jin; Ding, Hai-Yan; Meng, Yin-Shan; Gao, Chen; Zhang, Xue-Jing; Meng, Zhao-Sha; Zhang, Yi-Quan; Shi, Wei; Wang, Bing-Wu; Gao, Song Hydroxide-bridged five-coordinate Dy(III) single-molecule magnet exhibiting the record thermal relaxation barrier of magnetization among lanthanide-only dimers. Chemical science, 2017, 8, 1288-1294 |
1544245 | CIF | C25 H40 Cl2 N4 O9 Zn2 | P b c a | 20.1218; 15.6745; 21.2107 90; 90; 90 | 6689.8 | Martínez, Javier; Castro-Osma, José A.; Lara-Sánchez, Agustín; Otero, Antonio; Fernández-Baeza, Juan; Tejeda, Juan; Sánchez-Barba, Luis F.; Rodríguez-Diéguez, Antonio Ring-opening copolymerisation of cyclohexene oxide and carbon dioxide catalysed by scorpionate zinc complexes Polym. Chem., 2016, 7, 6475 |
1544308 | CIF HKL Paper | C11 H17 N3 O5 S | P b c a | 7.1432; 13.35; 29.4794 90; 90; 90 | 2811.21 | Thayanithi, V.; Kumar, P. Praveen; Gunasekaran, B. Creatinium 4-methylbenzenesulfonate IUCrData, 2016, 1, x161622 |
1544320 | CIF | C30 H54 N10 O17 S4 | P b c a | 18.5465; 16.3492; 28.7869 90; 90; 90 | 8728.8 | Feng, Wei-Xu; van der Lee, Arie; Legrand, Yves-Marie; Petit, Eddy; Dumitrescu, Dan; Su, Cheng-Yong; Barboiu, Mihail Adaptive Encapsulation of ω-Amino Acids and Their Guanidinium-Amide Congeners. Organic letters, 2016, 18, 5556-5559 |
1544325 | CIF | C24 H32 Co N4 O2 P | P b c a | 15.072; 17.0259; 18.8998 90; 90; 90 | 4849.96 | Brueggeller, Peter; Strabler, Christof; Sinn, Stephan; Pehn, Richard; Pann, Johann; Dutzler, Julian; Viertl, Wolfgang; Prock, Johannes; Ehrmann, Katharina; Weninger, Alexander; Kopacka, Holger; De Cola, Luisa Stabilisation effects of phosphane ligands in the homogeneous approach of sunlight induced hydrogen production Faraday Discuss., 2016 |
1544332 | CIF | O4 Si Zn2 | P b c a | 10.9179; 9.6728; 6.1184 90; 90; 90 | 646.14 | Liu, X.; Kanzaki, M.; Xue, X. Crystal structures of Zn2SiO4 III and IV synthesized at 6.5-8 GPa and 1,273 K Physics and Chemistry of Minerals, 2013, 40, 467-478 |
1544366 | CIF | C26 H19 I | P b c a | 16.0575; 11.4137; 21.6746 90; 90; 90 | 3972.4 | Wang, Ming; Fan, Qiaoling; Jiang, Xuefeng Transition-Metal-Free Diarylannulated Sulfide and Selenide Construction via Radical/Anion-Mediated Sulfur-Iodine and Selenium-Iodine Exchange. Organic letters, 2016, 18, 5756-5759 |
1544410 | CIF | Hf O2 | P b c a | 10.0172; 5.2276; 5.0598 90; 90; 90 | 264.961 | Ohtaka, O.; Yamanaka, T.; Kume, S. Synthesis and X-ray structural analysis by the Rietveld method of orthorhombic hafnia Nippon Seramikkusu Kyokai Gakujutsu Ronbunshi, 1991, 99, 826-827 |
1544422 | CIF | C22 H26 N2 O2 | P b c a | 11.3119; 7.3309; 22.1215 90; 90; 90 | 1834.46 | Robertson, Ellen J.; Proulx, Caroline; Su, Jessica K.; Garcia, Rita L.; Yoo, Stan; Nehls, Eric M.; Connolly, Michael D.; Taravati, Laudann; Zuckermann, Ronald N. Molecular Engineering of the Peptoid Nanosheet Hydrophobic Core. Langmuir : the ACS journal of surfaces and colloids, 2016, 32, 11946 |
1544437 | CIF HKL Paper | C17 H21 N3 O S | P b c a | 11.7947; 14.2221; 18.7864 90; 90; 90 | 3151.3 | de Oliveira, Gabriela Porto; Bresolin, Leandro; Nogueira, Vanessa Senna; Zambiazi, Priscila Jussiane; de Oliveira, Adriano Bof 4-Phenyl-1-[(1<i>R</i>,4<i>R</i>)-1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptan-3-ylidene]hydrazinecarbothioamide IUCrData, 2016, 1, x161730 |
1544440 | CIF HKL Paper | C34 H27 N5 O2 | P b c a | 14.7421; 17.5573; 21.4675 90; 90; 90 | 5556.5 | Seethalakshmi, P.; Palanivel, C. 1-Benzyl-3'-[(1<i>H</i>-indol-3-yl)carbonyl]-1'-methyl-2-oxo-4'-(pyridin-3-yl)spiro[indoline-3,2'-pyrrolidine]-3'-carbonitrile IUCrData, 2016, 1, x161686 |
1544517 | CIF | C33 H42 Cl6 Ir2 N4 O4 | P b c a | 14.9782; 15.0278; 17.4463 90; 90; 90 | 3927 | Shopov, Dimitar Y.; Rudshteyn, Benjamin; Campos, Jesús; Vinyard, David J.; Batista, Victor S.; Brudvig, Gary W.; Crabtree, Robert H. A full set of iridium(iv) pyridine-alkoxide stereoisomers: highly geometry-dependent redox properties. Chemical science, 2017, 8, 1642-1652 |
1544531 | CIF HKL Paper | C18 H22 Cl Mn N2 O10 | P b c a | 13.978; 13.208; 22.137 90; 90; 90 | 4087 | Noor, Shabana; Seidel, Rüdiger W.; Goddard, Richard; Kumar, Sarvendra; Sabir, Suhail Redetermination of diaqua[<i>N</i>,<i>N</i>'-bis(3-methoxy-2-oxidobenzylidene)ethylenediamine-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>']manganese(III) perchlorate at 100K IUCrData, 2016, 1, x161735 |
1544533 | CIF | H O6 P Tl V | P b c a | 9.257; 17.518; 6.81 90; 90; 90 | 1104.3 | Huan, Guohe; Johnson, Jack W.; Jacobson, Allan J.; Corcoran, Edwards W. Jr.; Goshorn, David P. Synthesis and crystal structure of two thallium vanadium phosphates : TlVO2(HPO4) and Tl3V2O3(VO)(PO4)2(HPO4) Journal of Solid State Chemistry, 1991, 93, 514-525 |
1544543 | CIF HKL Paper | C22 H18 Fe2 O3 | P b c a | 14.8773; 12.2499; 19.3288 90; 90; 90 | 3522.59 | McAdam, C. John; Simpson, Jim Ferrocenecarboxylic anhydride: a redetermination IUCrData, 2016, 1, x161769 |
1544554 | CIF | C25 H32 Si2 | P b c a | 6.657; 34.537; 19.811 90; 90; 90 | 4555 | Takahashi, Keisuke; Ito, Shingo; Shintani, Ryo; Nozaki, Kyoko Selective synthesis of unsymmetric dibenzo[a,e]pentalenes by a rhodium-catalysed stitching reaction. Chemical science, 2017, 8, 101-107 |
1544657 | CIF | C12 H30 I6 N2 Pb | P b c a | 9.0651; 8.8852; 33.617 90; 90; 90 | 2707.7 | Smith, Matthew D.; Pedesseau, Laurent; Kepenekian, Mikaël; Smith, Ian C.; Katan, Claudine; Even, Jacky; Karunadasa, Hemamala I. Decreasing the electronic confinement in layered perovskites through intercalation. Chemical science, 2017, 8, 1960-1968 |
1544692 | CIF HKL Paper | C15 H14 N2 S | P b c a | 11.0177; 7.8508; 29.691 90; 90; 90 | 2568.2 | Tang, Yi-Wen; Wang, Jing-Hang; Xie, Qing-Yuan; Wang, Quan; Wu, Jie-Ying 4-(Benzo[<i>d</i>]thiazol-2-yl)-<i>N</i>,<i>N</i>-dimethylaniline IUCrData, 2016, 1, x161847 |
1544822 | CIF | C14 H10 N2 O2 | P b c a | 8.2; 12.4012; 21.182 90; 90; 90 | 2154 | Barsu, Nagaraju; Bolli, Shyam Kumar; Sundararaju, Basker Cobalt catalyzed carbonylation of unactivated C(sp(3))-H bonds. Chemical science, 2017, 8, 2431-2435 |
1544926 | CIF | C24 H10 Al F15 O2 | P b c a | 18.8274; 12.704; 19.8612 90; 90; 90 | 4750.5 | Wang, Qianyi; Zhao, Wuchao; He, Jianghua; Zhang, Yuetao; Chen, Eugene Y.-X. Living Ring-Opening Polymerization of Lactones by N-Heterocyclic Olefin/Al(C6F5)3 Lewis Pairs: Structures of Intermediates, Kinetics, and Mechanism Macromolecules, 2017, 50, 123 |
1544962 | CIF | C20 H18 N2 O3 | P b c a | 12.422; 14.815; 17.902 90; 90; 90 | 3294.5 | Cheng, Jian; Li, Weipeng; Duan, Yingqian; Cheng, Yixiang; Yu, Shouyun; Zhu, Chengjian Relay Visible-Light Photoredox Catalysis: Synthesis of Pyrazole Derivatives via Formal [4 + 1] Annulation and Aromatization. Organic letters, 2016 |
1545102 | CIF | C36 H44 N2 O2 Zn | P b c a | 14.482; 15.42; 27.296 90; 90; 90 | 6096 | Jędrzkiewicz, Dawid; Adamus, Grażyna; Kwiecień, Michał; John, Łukasz; Ejfler, Jolanta Lactide as the Playmaker of the ROP Game: Theoretical and Experimental Investigation of Ring-Opening Polymerization of Lactide Initiated by Aminonaphtholate Zinc Complexes. Inorganic chemistry, 2017, 56, 1349-1365 |
1545117 | CIF HKL | C20 H14 Br2 N2 O2 | P b c a | 7.4379; 18.736; 25.4469 90; 90; 90 | 3546.2 | Dekar, Souad; Bendia, Sabrina; Ouari, Kamel 2,2'-[(1<i>E</i>,1'<i>E</i>)-1,2-Phenylenebis(azanylylidene)bis(methanylylidene)]bis(4-bromophenol) IUCrData, 2017, 2, x170077 |
1545185 | CIF | C24 H39 Np Si3 | P b c a | 8.298; 22.1664; 28.917 90; 90; 90 | 5318.9 | Dutkiewicz, Michał S.; Apostolidis, Christos; Walter, Olaf; Arnold, Polly L. Reduction chemistry of neptunium cyclopentadienide complexes: from structure to understanding Chem. Sci., 2017, 8, 2553 |
1545206 | CIF | C28 H33 N7 O9 S | P b c a | 16.9672; 16.6921; 21.14 90; 90; 90 | 5987.2 | Xu, Rui-Bin; Wang, Qi-Qiang; Ao, Yu-Fei; Li, Zhi-Yan; Huang, Zhi-Tang; Wang, De-Xian Anionic Head Containing Oxacalix[2]arene[2]triazines: Synthesis and Anion-π-Directed Self-Assembly in Solution and Solid State. Organic letters, 2017, 19, 738-741 |
1545266 | CIF | C44 H69 I Pb Ru Si2 | P b c a | 10.393; 22.3163; 39.5129 90; 90; 90 | 9164.4 | Nakada, Marisa; Kuwabara, Takuya; Furukawa, Shunsuke; Hada, Masahiko; Minoura, Mao; Saito, Masaichi Synthesis and reactivity of a ruthenocene-type complex bearing an aromatic π-ligand with the heaviest group 14 element Chem. Sci., 2017, 8, 3092 |
1545272 | CIF | C11 H23 Br4 Fe N2 | P b c a | 15.3952; 13.019; 38.748 90; 90; 90 | 7766.3 | Lu, Bing; Zhu, Fan; Sun, Hong-Mei; Shen, Qi Esterification of the Primary Benzylic C-H Bonds with Carboxylic Acids Catalyzed by Ionic Iron(III) Complexes Containing an Imidazolinium Cation. Organic letters, 2017, 19, 1132-1135 |
1545406 | CIF | C11 H10 N2 O5 | P b c a | 4.8748; 17.909; 23.571 90; 90; 90 | 2057.8 | Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang Construction of Nitrated Benzo[3.3.1]bicyclic Acetal/Ketal Core via Nitration of o-Carbonyl Allylbenzenes. Organic letters, 2017, 19, 1358-1361 |
1545411 | CIF | C22 H22 O6 | P b c a | 6.92797; 14.3084; 37.5013 90; 90; 90 | 3717.4 | Nyandoro, Stephen S.; Munissi, Joan J. E.; Kombo, Msim; Mgina, Clarence A.; Pan, Fangfang; Gruhonjic, Amra; Fitzpatrick, Paul; Lu, Yu; Wang, Bin; Rissanen, Kari; Erdélyi, Máté Flavonoids from Erythrina schliebenii. Journal of natural products, 2017, 80, 377-383 |
1545437 | CIF | C12 H12 Br N O3 | P b c a | 7.7792; 11.9136; 25.989 90; 90; 90 | 2408.6 | Zhang, Zhi-Qiang; Chen, Tao; Zhang, Fu-Min Copper-Assisted Direct Nitration of Cyclic Ketones with Ceric Ammonium Nitrate for the Synthesis of Tertiary α-Nitro-α-substituted Scaffolds. Organic letters, 2017, 19, 1124-1127 |
1545454 | CIF | C21.87 H14.18 Br N O S | P b c a | 8.5547; 20.782; 21.537 90; 90; 90 | 3828.9 | Prasad, Ch Durga; Sattar, Moh; Kumar, Sangit Transition-Metal-Free Selective Oxidative C(sp(3))-S/Se Coupling of Oxindoles, Tetralone, and Arylacetamides: Synthesis of Unsymmetrical Organochalcogenides. Organic letters, 2017, 19, 774-777 |
1545495 | CIF HKL Paper | C9 H9 N O S | P b c a | 7.3148; 8.403; 27.67 90; 90; 90 | 1700.8 | Ellouz, Mohamed; Sebbar, Nada Kheira; Ouzidan, Younes; Essassi, El Mokhtar; Mague, Joel T. 4-Methyl-3,4-dihydro-2<i>H</i>-1,4-benzothiazin-3-one IUCrData, 2017, 2, x170097 |
1545510 | CIF | C14 H13 N O3 S | P b c a | 9.2267; 9.9695; 28.6206 90; 90; 90 | 2632.68 | Liu, Chengwei; Liu, Yongmei; Liu, Ruzhang; Lalancette, Roger; Szostak, Roman; Szostak, Michal Palladium-Catalyzed Suzuki‒Miyaura Cross-Coupling of N-Mesylamides by N‒C Cleavage: Electronic Effect of the Mesyl Group Organic Letters, 2017 |
1545536 | CIF | C205.5 H135.5 Ca6.25 N32 O82.5 | P b c a | 34.859; 29.286; 51.432 90; 90; 90 | 52506 | Hu, Xiaobo; Dawson, Simon J.; Mandal, Pradeep K.; de Hatten, Xavier; Baptiste, Benoit; Huc, Ivan Optimizing side chains for crystal growth from water: a case study of aromatic amide foldamers Chem. Sci., 2017, 8, 3741 |
1545546 | CIF | C12 H10 Cl2 N4 O Pb | P b c a | 14.0154; 12.5288; 16.4104 90; 90; 90 | 2881.6 | Southern, Scott Alexander; Errulat, Dylan; Frost, Jamie; Gabidullin, Bulat; Bryce, David L. FDHALO17: Prospects for 207Pb Solid-State NMR Studies of Lead Tetrel Bonds Faraday Discuss., 2017 |
1545601 | CIF | C23 H28 Cl6 N7 Ni O2 Re | P b c a | 16.0287; 18.8615; 22.0793 90; 90; 90 | 6675.1 | Pedersen, Anders H.; Geoghegan, Blaise L.; Nichol, Gary S.; Lupton, David W.; Murray, Keith S.; Martínez-Lillo, José; Gass, Ian A.; Brechin, Euan K. Hexahalorhenate(iv) salts of metal oxazolidine nitroxides. Dalton transactions (Cambridge, England : 2003), 2017, 46, 5250-5259 |
1545665 | CIF | C16 H13 B F2 O2 | P b c a | 8.2331; 13.1144; 25.5836 90; 90; 90 | 2762.3 | Tanaka, Mirai; Muraoka, Shunsuke; Matsui, Yasunori; Ohta, Eisuke; Ogaki, Takuya; Mizuno, Kazuhiko; Ikeda, Hiroshi Cooperative Effects of o- and m-Methyl Groups on the Intramolecular Charge-Transfer Emission Properties of Dibenzoylmethanatoboron Difluorides Photochem. Photobiol. Sci., 2017 |
1545689 | CIF | C42 H53 B F4 Ir N5 | P b c a | 20.444; 18.957; 20.8205 90; 90; 90 | 8069.1 | Perez, laura Rubio; Iglesias, Manuel; Munarriz, Julen; Polo, Victor; Passarelli, Vincenzo; Pérez-Torrente, Jesús J. J.; Oro, Luis A. A Well-Defined NHC-Ir(III) Catalyst for the Silylation of Aromatic C‒H Bonds: Substrate Survey and Mechanistic Insights Chem. Sci., 2017 |
1545701 | CIF | C28 H26 Co4 F6 N4 O12 | P b c a | 19.215; 17.7981; 19.7244 90; 90; 90 | 6745.6 | Nguyen, Andy Ich; Wang, Jianing; Levine, Daniel S.; Ziegler, Micah S.; Tilley, T. Don Synthetic Control and Empirical Prediction of Redox Potentials for Co4O4 Cubanes over a 1.4 V Range: Implications for Catalyst Design and Evaluation of High-Valent Intermediates in Water Oxidation Chem. Sci., 2017 |
1545719 | CIF | C19 H12 N2 | P b c a | 8.759; 15.074; 21.337 90; 90; 90 | 2817 | Yousuf, Md; Adhikari, Susanta One-Pot Synthesis of 3-Substituted 2-Arylpyrrole in Aqueous Media via Addition-Annulation of Arylboronic Acid and Substituted Aliphatic Nitriles. Organic letters, 2017, 19, 2214-2217 |
1545752 | CIF | C4 H14 F2 Ga3 N2 O12 P3 | P b c a | 10.075; 18.506; 16.06 90; 90; 90 | 2994.4 | Thierry Loiseau; Francis Taulelle; Gerard Ferey Oxyfluorinated compounds with open structure XI. Interaction between the ULM-3 type framework and linear diamine templates of different chain lengths studied by X-ray diffraction and solid-state nuclear magnetic resonance characterization Microporous Materials, 1996, 5, 365-379 |
1545753 | CIF | C5 H16 F2 Ga3 N2 O12 P3 | P b c a | 10.156; 18.672; 16.367 90; 90; 90 | 3104 | Thierry Loiseau; Francis Taulelle; Gerard Ferey Oxyfluorinated compounds with open structure XI. Interaction between the ULM-3 type framework and linear diamine templates of different chain lengths studied by X-ray diffraction and solid-state nuclear magnetic resonance characterization Microporous Materials, 1996, 5, 365-379 |
1545801 | CIF | C8 H24 Br4 N2 Pb | P b c a | 8.3343; 8.2225; 27.6171 90; 90; 90 | 1892.57 | Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I. Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites Chem. Sci., 2017 |
1545990 | CIF | C61 H71 N3 O10 | P b c a | 17.819; 17.457; 34.337 90; 90; 90 | 10681 | Zhu, Kelong; Baggi, Giorgio; Vukotic, V. Nicholas; Loeb, Stephen J. Reversible mechanical protection: building a 3D “suit” around a T-shaped benzimidazole axle Chem. Sci., 2017, 8, 3898 |
1546115 | CIF | C20 H23 P S | P b c a | 10.9323; 14.5698; 21.091 90; 90; 90 | 3359.4 | Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine Validation of experimental charge-density refinement strategies: when do we overfit? IUCrJ, 2017, 4 |
1546116 | CIF | C20 H23 P S | P b c a | 10.932; 14.57; 21.091 90; 90; 90 | 3359.4 | Krause, Lennard; Niepötter, Benedikt; Schürmann, Christian J.; Stalke, Dietmar; Herbst-Irmer, Regine Validation of experimental charge-density refinement strategies: when do we overfit? IUCrJ, 2017, 4 |
1546124 | CIF | C24 H23 N3 O3 S | P b c a | 15.862; 15.219; 18.723 90; 90; 90 | 4519.8 | Xu, Wei; Wang, Gaonan; Sun, Ning; Liu, Yuanhong Gold-Catalyzed Formal [3 + 2] Cycloaddition of Ynamides with 4,5-Dihydro-1,2,4-oxadiazoles: Synthesis of Functionalized 4-Aminoimidazoles. Organic letters, 2017, 19, 3307-3310 |
1546133 | CIF | C18 H22 B10 N2 | P b c a | 12.0727; 12.564; 26.304 90; 90; 90 | 3989.8 | Yan, Hong; Li, Xiang; Yin, Yongheng; Lu, Changsheng; Tong, Xiao; Zhao, Qiang Using highly emissive and environmentally sensitive o-carborane-functionalized metallophosphors to monitor mitochondrial polarity Chem. Sci., 2017 |
1546148 | CIF | C22 H26 Mn N2 O6 Re | P b c a | 14.2637; 17.4799; 17.7014 90; 90; 90 | 4413.5 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
1546154 | CIF | C23 H26 Mn N3 O2 S | P b c a | 15.9799; 15.253; 17.7327 90; 90; 90 | 4322.2 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
1546157 | CIF | C22 H26 Mn N2 O8 Re | P b c a | 14.7377; 16.7073; 18.4223 90; 90; 90 | 4536.1 | Kachi-Terajima, Chihiro; Ishii, Rikako; Tojo, Yoshiaki; Fukuda, Masato; Kitagawa, Yasutaka; Asaoka, Mizuki; Miyasaka, Hitoshi Ferromagnetic Exchange Coupling in a Family of MnIII Salen-Type Schiff-Base Out-of-Plane Dimers The Journal of Physical Chemistry C, 2017 |
1546315 | CIF | C17 H13 F3 N2 O | P b c a | 15.766; 11.5833; 17.044 90; 90; 90 | 3112.6 | Qin, Shuang; Zheng, Yan; Zhang, Fa-Guang; Ma, Jun-An One-Pot Cascade Transformations of Zinc Trifluorodiazoethylide and α,β-Unsaturated Enones: Access to Trifluoromethylated Polycyclic Pyrazolines. Organic letters, 2017, 19, 3406-3409 |
1546316 | CIF | C17 H13 F3 N2 O | P b c a | 7.367; 19.893; 20.426 90; 90; 90 | 2993 | Qin, Shuang; Zheng, Yan; Zhang, Fa-Guang; Ma, Jun-An One-Pot Cascade Transformations of Zinc Trifluorodiazoethylide and α,β-Unsaturated Enones: Access to Trifluoromethylated Polycyclic Pyrazolines. Organic letters, 2017, 19, 3406-3409 |
1546390 | CIF | C16 B2 F8 K2 N8 | P b c a | 10.0487; 18.9832; 22.2949 90; 90; 90 | 4252.9 | Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates Chem. Sci., 2017 |
1546407 | CIF | C24 H12 Br4 N2 | P b c a | 10.5047; 14.9725; 27.75 90; 90; 90 | 4364.6 | Yuan, Yuan; Huang, Hongliang; Chen, Long; Chen, Yulan N,N′-Bicarbazole: A Versatile Building Block toward the Construction of Conjugated Porous Polymers for CO2 Capture and Dyes Adsorption Macromolecules, 2017 |
1546427 | CIF | C16 H26 Mn N4 O6 S2 | P b c a | 9.1341; 13.5068; 16.573 90; 90; 90 | 2044.7 | Nicolay N. Golovnev; Maxim S. Molokeev; Irina V. Sterkhova; Maxim K. Lesnikov; Victor V. Atuchin Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability Polyhedron, 2017, 134, 120-125 |
1546428 | CIF | C16 H32 Mn N4 O9 S2 | P b c a | 11.8868; 13.8324; 29.9847 90; 90; 90 | 4930.2 | Nicolay N. Golovnev; Maxim S. Molokeev; Irina V. Sterkhova; Maxim K. Lesnikov; Victor V. Atuchin Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability Polyhedron, 2017, 134, 120-125 |
1546432 | CIF | C19 H16 O4 | P b c a | 6.3646; 17.4661; 27.475 90; 90; 90 | 3054.3 | Borisov, Denis D.; Novikov, Roman A.; Eltysheva, Anna S.; Tkachev, Yaroslav V.; Tomilov, Yury V. Styrylmalonates as an Alternative to Donor‒Acceptor Cyclopropanes in the Reactions with Aldehydes: A Route to 5,6-Dihydropyran-2-ones Organic Letters, 2017 |
1546454 | CIF | C24 H27 B N4 | P b c a | 16.1393; 7.9763; 34.8942 90; 90; 90 | 4492 | Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2− Chem. Sci., 2017 |
1546464 | CIF | C13 H27 F2 N O Si | P b c a | 11.8766; 11.7308; 23.6382 90; 90; 90 | 3293.3 | Supranovich, Vyacheslav I.; Levin, Vitalij V.; Struchkova, Marina I.; Korlyukov, Alexander A.; Dilman, Alexander D. Radical Silyldifluoromethylation of Electron-Deficient Alkenes. Organic letters, 2017, 19, 3215-3218 |
1546517 | CIF | C17 H19 B F6 S | P b c a | 13.8754; 14.2531; 17.5717 90; 90; 90 | 3475.1 | Noto, Naoki; Koike, Takashi; Akita, Munetaka Metal-free di- and tri-fluoromethylation of alkenes realized by visible-light-induced perylene photoredox catalysis Chem. Sci., 2017 |
1546519 | CIF | C17 H11 F3 O3 | P b c a | 10.159; 9.48; 29.456 90; 90; 90 | 2836.8 | jana, sadhan; Verma, Ajay; Kadu, Rahul Vilasrao; KUMAR, SANGIT Visible-Light-Induced Oxidant and Metal-Free Dehydrogenative Cascade Trifluoromethylation and Oxidation of 1,6-Enynes with Water Chem. Sci., 2017 |
1546528 | CIF | C21 H23 N O5 S | P b c a | 20.6097; 8.9853; 21.9169 90; 90; 90 | 4058.7 | Li, Xing-Shuo; Zhao, Liang-Liang; Wang, Xiao-Ke; Cao, Li−Li; Shi, Xiao-Qian; Zhang, Rui; Qi, Jing Enantioselective [3 + 2] Annulation of Enals with 2-Aminoacrylates Catalyzed by N-Heterocyclic Carbene Organic Letters, 2017 |
1546601 | CIF | C19 H20 O4 | P b c a | 12.864; 14.501; 16.567 90; 90; 90 | 3090.4 | Chan, Chieh-Kai; Tsai, Yu-Lin; Chang, Meng-Yang CuI Mediated One-Pot Cycloacetalization/Ketalization of o-Carbonyl Allylbenzenes: Synthesis of Benzobicyclo[3.2.1]octane Core. Organic letters, 2017, 19, 1870-1873 |
1546626 | CIF | C30 H18 | P b c a | 7.56; 20.153; 23.743 90; 90; 90 | 3617 | Fujino, Shota; Yamaji, Minoru; Okamoto, Hideki; Mutai, Toshiki; Yoshikawa, Isao; Houjou, Hirohiko; Tani, Fumito Systematic investigations on fused π-system compounds of seven benzene rings prepared by photocyclization of diphenanthrylethenes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2017 |
1546658 | CIF HKL Paper | C12 H13 Cl2 N O2 | P b c a | 13.9866; 7.9972; 23.122 90; 90; 90 | 2586.3 | Mohamooda Sumaya, U.; Reuben Jonathan, D.; Era, Dravida Thendral; Gomathi, S.; Usha, G. (2,4-Dichlorophenyl)(3-hydroxypiperidin-1-yl)methanone: crystal structure and Hirshfeld analysis IUCrData, 2017, 2, x170813 |
1546673 | CIF HKL Paper | C22 H14 Cl N O2 S | P b c a | 9.2518; 10.3432; 38.5674 90; 90; 90 | 3690.64 | Bakhouch, Mohamed; El Yazidi, Mohamed; Al Houari, Ghali; Saadi, Mohamed; El Ammari, Lahcen 3'-(4-Chlorophenyl)-4'-phenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one IUCrData, 2017, 2, x170677 |
1546711 | CIF HKL | C11 H9 F3 N2 O3 S | P b c a | 7.37174; 12.5726; 26.4454 90; 90; 90 | 2451.01 | Abe, Ryosuke; Takase, Tsugiko; Oyama, Dai 2-(Pyridin-2-yl)pyridinium trifluoromethanesulfonate IUCrData, 2017, 2, x170689 |
1546759 | CIF | C40 H63 B Li N O3 | P b c a | 17.9286; 17.5371; 24.5618 90; 90; 90 | 7722.6 | Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor Chem. Sci., 2017 |
1546761 | CIF | C25 H39 B N2 | P b c a | 15.5756; 16.3913; 18.0729 90; 90; 90 | 4614.1 | Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor Chem. Sci., 2017 |
1546762 | CIF | C11 H14 N2 O5 S2 | P b c a | 9.411; 14.986; 19.855 90; 90; 90 | 2800.2 | Mizojiri, Ryo; Takami, Kazuaki; Ito, Tatsuya; Maeda, Hiroyuki; Yamano, Mitsuhisa; Kawamoto, Tetsuji Efficient and Stereoselective Syntheses of Isomerically Pure 4-Aminotetrahydro-2H-thiopyran 1-Oxide Derivatives Organic Process Research & Development, 2017, 21, 1034 |
1546808 | CIF | C68 H58 B2 F8 Fe4 N14 O16 | P b c a | 16.7707; 28.016; 29.924 90; 90; 90 | 14060 | Hossain, Sayed Muktar; Lakma, Avinash; Pradhan, Rabindra Nath; Demeshko, Serhiy; Singh, Akhilesh Kumar Valence directed binding mode of [2 × 2] iron grids of an unsymmetrical picolinic hydrazone based ligand Dalton Transactions, 2017, 46, 12612-12618 |
1546844 | CIF | C28 H24 Cl2 Mn3 N2 O11 | P b c a | 18.019; 7.671; 23.088 90; 90; 90 | 3191.3 | Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties CrystEngComm, 2017, 19, 5755-5763 |
1546848 | CIF | C16 H10 N6 O7 Zn | P b c a | 7.8558; 13.5861; 31.5006 90; 90; 90 | 3362 | Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties CrystEngComm, 2017, 19, 5864-5872 |
1546849 | CIF | C128 H80 Cu8 N48 O56 | P b c a | 7.838; 13.665; 30.941 90; 90; 90 | 3314 | Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties CrystEngComm, 2017, 19, 5864-5872 |
1546899 | CIF | C29 H36 B P | P b c a | 16.9924; 16.5973; 17.5163 90; 90; 90 | 4940.1 | Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates Dalton Transactions, 2017, 46, 12284-12292 |
1546904 | CIF | C27 H36 B P | P b c a | 17.3762; 15.4227; 17.5727 90; 90; 90 | 4709.3 | Habraken, Evi R. M.; Mens, Lars C.; Nieger, Martin; Lutz, Martin; Ehlers, Andreas W.; Slootweg, J. Chris Reactivity of the geminal phosphinoborane tBu <sub>2</sub> PCH <sub>2</sub> BPh <sub>2</sub> towards alkynes, nitriles, and nitrilium triflates Dalton Transactions, 2017, 46, 12284-12292 |
1546910 | CIF | C88 H82 Ag Cl3 F21 O5 P3 Pd3 S3 Sb2 | P b c a | 21.8782; 22.7145; 39.349 90; 90; 90 | 19554.6 | Maestri, Giovanni; WANG, Yanlan; Monfredini, Anna; Deyris, Pierre-Alexandre; Derat, Etienne; Malacria, Max; Blanchard, Florent All-Metal Aromatic Cationic Palladium Triangles Can Mimic Aromatic Donor Ligands towards Lewis Acidic Cations Chem. Sci., 2017 |
1546993 | CIF | C24 H18 O2 | P b c a | 10.697; 9.083; 35.93 90; 90; 90 | 3491 | Guo, Guiyu; Wan, Saihong; Si, Xiaodong; Jiang, Qijian; Jia, Yuanyuan; Yang, Luo; Zhou, Wang From Simple to Complex: Rhodium(III)-Catalyzed C-C Bond Cleavage and C-H Bond Functionalization for the Synthesis of 3a,8b-Dihydro-1H-cyclopenta[b]benzofuran-1-ones. Organic letters, 2017, 19, 5026-5029 |
1547033 | CIF | C16 H21 O4 | P b c a | 14.4398; 8.7058; 23.2532 90; 90; 90 | 2923.16 | Shao, Hui; Bao, Wen; Jing, Ze-Ran; Wang, Yun-Peng; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang Construction of the [6,5,7,5] Tetracyclic Core of Calyciphylline A Type Alkaloids via a Tandem Semipinacol Rearrangement/Nicholas Reaction. Organic letters, 2017, 19, 4648-4651 |
1547161 | CIF | C40 H40 N4 O4 | P b c a | 14.514; 10.865; 44.055 90; 90; 90 | 6947 | Li, Youpeng; Hong, Youhua; Guo, Jing; Huang, Xiaobo; Wei, Haipeng; Zhou, Jun; Qiu, Tiancheng; Wu, Jishan; Zeng, Zebing Bay- and Ortho-Octasubstituted Perylenes. Organic letters, 2017, 19, 5094-5097 |
1547162 | CIF | C40 H52 O8 | P b c a | 12.6363; 23.284; 25.125 90; 90; 90 | 7392.4 | Li, Youpeng; Hong, Youhua; Guo, Jing; Huang, Xiaobo; Wei, Haipeng; Zhou, Jun; Qiu, Tiancheng; Wu, Jishan; Zeng, Zebing Bay- and Ortho-Octasubstituted Perylenes. Organic letters, 2017, 19, 5094-5097 |
1547187 | CIF | C22 H20 Cl2 N4 O4 | P b c a | 7.5481; 21.3823; 27.862 90; 90; 90 | 4496.8 | Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents Chemistry Central Journal, 2013, 7, 123 |
1547195 | CIF | C14 H16 O4 | P b c a | 11.3435; 12.4428; 18.028 90; 90; 90 | 2544.6 | Smith, Brandon R.; Njardarson, Jon T. Double-Diels-Alder Approach to Maoecrystal V. Unexpected C-C Bond-Forming Fragmentations of the [2.2.2]-Bicyclic Core. Organic letters, 2017, 19, 5316-5319 |
1547213 | CIF | C16 H20 N12 O12 | P b c a | 12.7424; 17.4112; 21.0833 90; 90; 90 | 4677.6 | Gustavo Portalone Solid-phase molecular recognition of cytosine based on proton-transfer reaction. Part II. supramolecular architecture in the cocrystals of cytosine and its 5-Fluoroderivative with 5-Nitrouracil Chemistry Central Journal, 2011, 5, 51 |
1547236 | CIF | C18 H18 Cl Co F N O2 | P b c a | 13.6337; 14.573; 17.0961 90; 90; 90 | 3396.7 | Yu, Xiaolong; Chen, Kehao; Guo, Shan; Shi, Pengfei; Song, Chao; Zhu, Jin Direct Access to Cobaltacycles via C-H Activation: N-Chloroamide-Enabled Room-Temperature Synthesis of Heterocycles. Organic letters, 2017, 19, 5348-5351 |
1547238 | CIF | C29 H16 S2 | P b c a | 15.2176; 8.3864; 32.8506 90; 90; 90 | 4192.4 | Takase, Ko; Noguchi, Keiichi; Nakano, Koji Circularly Polarized Luminescence from Chiral Spiro Molecules: Synthesis and Optical Properties of 10,10'-Spirobi(indeno[1,2-b][1]benzothiophene) Derivatives. Organic letters, 2017, 19, 5082-5085 |
1547242 | CIF | C23 H33 F6 N3 P2 Ru | P b c a | 12.4248; 20.3497; 20.8058 90; 90; 90 | 5260.6 | Landman, Iris; Paulson, Erik; Rheingold, Arnold L.; Grotjahn, Douglas; Rothenberg, Gadi Designing bifunctional alkene isomerization catalysts using predictive modelling Catal. Sci. Technol., 2017 |
1547283 | CIF | Fe14.4 K14.4 O32 Ti1.6 | P b c a | 5.6343; 11.2778; 15.9493 90; 90; 90 | 1013.46 | Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128 |
1547284 | CIF | Fe14.4 K14.4 O32 Ti1.6 | P b c a | 5.6351; 11.3134; 15.9647 90; 90; 90 | 1017.78 | Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128 |
1547285 | CIF | Fe14.4 K14.4 O32 Ti1.6 | P b c a | 5.6443; 11.3472; 15.9872 90; 90; 90 | 1023.93 | Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128 |
1547286 | CIF | Fe14.4 K14.4 O32 Ti1.6 | P b c a | 5.6581; 11.3735; 16.0267 90; 90; 90 | 1031.36 | Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128 |
1547287 | CIF | Fe14.4 K14.4 O32 Ti1.6 | P b c a | 5.6848; 11.3764; 16.09 90; 90; 90 | 1040.6 | Proskurnina, Natalia V.; Voronin, Vladimir I.; Shekhtman, Georgi Sh.; Maskaeva, Larisa N.; Kabanova, Natalia A.; Kabanov, Artem A.; Blatov, Vladislav A. Ionic Conductivity in Ti-Doped KFeO2: Experiment and Mathematical Modeling The Journal of Physical Chemistry C, 2017, 121, 21128 |
1547429 | CIF | C11 H12 N4 O2 S | P b c a | 9.0785; 11.5265; 22.8581 90; 90; 90 | 2391.95 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547430 | CIF | C11 H12 N4 O2 S | P b c a | 9.0963; 11.5574; 22.8612 90; 90; 90 | 2403.39 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547431 | CIF | C11 H12 N4 O2 S | P b c a | 9.0885; 11.5482; 22.7898 90; 90; 90 | 2391.9 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547432 | CIF | C11 H12 N4 O2 S | P b c a | 9.0907; 11.5779; 22.8104 90; 90; 90 | 2400.82 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547433 | CIF | C11 H12 N4 O2 S | P b c a | 9.1074; 11.6193; 22.8456 90; 90; 90 | 2417.56 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547434 | CIF | C11 H12 N4 O2 S | P b c a | 9.1228; 11.6522; 22.8488 90; 90; 90 | 2428.8 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547435 | CIF | C11 H12 N4 O2 S | P b c a | 9.1349; 11.6868; 22.866 90; 90; 90 | 2441.12 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547436 | CIF | C11 H12 N4 O2 S | P b c a | 9.0823; 11.5422; 22.8439 90; 90; 90 | 2394.72 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547437 | CIF | C11 H12 N4 O2 S | P b c a | 9.0881; 11.5538; 22.8478 90; 90; 90 | 2399.07 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547438 | CIF | C11 H12 N4 O2 S | P b c a | 9.0992; 11.5635; 22.8525 90; 90; 90 | 2404.51 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547439 | CIF | C11 H12 N4 O2 S | P b c a | 9.0972; 11.5751; 22.8531 90; 90; 90 | 2406.45 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547440 | CIF | C11 H12 N4 O2 S | P b c a | 9.1048; 11.5802; 22.8576 90; 90; 90 | 2410 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547441 | CIF | C11 H12 N4 O2 S | P b c a | 9.1064; 11.5845; 22.8569 90; 90; 90 | 2411.25 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547442 | CIF | C11 H12 N4 O2 S | P b c a | 9.107; 11.5902; 22.8593 90; 90; 90 | 2412.84 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547443 | CIF | C11 H12 N4 O2 S | P b c a | 9.1066; 11.5983; 22.8627 90; 90; 90 | 2414.78 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547444 | CIF | C11 H12 N4 O2 S | P b c a | 9.1158; 11.6222; 22.8715 90; 90; 90 | 2423.14 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547445 | CIF | C11 H12 N4 O2 S | P b c a | 9.12; 11.6339; 22.8697 90; 90; 90 | 2426.5 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547446 | CIF | C11 H12 N4 O2 S | P b c a | 9.1237; 11.6442; 22.8738 90; 90; 90 | 2430.07 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547447 | CIF | C11 H12 N4 O2 S | P b c a | 9.128; 11.6579; 22.8759 90; 90; 90 | 2434.3 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547448 | CIF | C11 H12 N4 O2 S | P b c a | 9.1311; 11.6667; 22.88 90; 90; 90 | 2437.4 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547449 | CIF | C11 H12 N4 O2 S | P b c a | 9.1357; 11.6782; 22.8834 90; 90; 90 | 2441.4 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547450 | CIF | C11 H12 N4 O2 S | P b c a | 9.1405; 11.6923; 22.8838 90; 90; 90 | 2445.67 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547451 | CIF | C11 H12 N4 O2 S | P b c a | 9.1415; 11.7002; 22.8837 90; 90; 90 | 2447.58 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547452 | CIF | C11 H12 N4 O2 S | P b c a | 9.1445; 11.713; 22.8862 90; 90; 90 | 2451.33 | Anuradha R. Pallipurath; Jonathan M. Skelton; Mark R. Warren; Naghmeh Kamali; Patrick McArdle; Andrea Erxleben Sulfamerazine: Understanding the Influence of Slip Planes in the Polymorphic Phase Transformation through X-Ray Crystallographic Studies and ab Initio Lattice Dynamics Molecular Pharmaceutics, 2015, 12, 3735-3748 |
1547462 | CIF | C29 H22 N2 O2 | P b c a | 19.4045; 7.14236; 30.4827 90; 90; 90 | 4224.72 | Etayo, Pablo; Escudero, Eduardo Carmelo; Pericas, Miquel A. 5,5’-Bistriazoles as axially chiral, multidentate ligands: Synthesis, configurational stability and catalytic application of their scandium(III) complexes Catal. Sci. Technol., 2017 |
1547478 | CIF | C9 H18 Fe2 N5 O3 S2 | P b c a | 14.24; 14.263; 14.821 90; 90; 90 | 3010 | Hsieh, Chung-Hung; Ding, Shengda; Erdem, Ozlen F.; Crouthers, Danielle J.; Liu, Tianbiao; McCrory, Charles C. L.; Lubitz, Wolfgang; Popescu, Codrina V.; Reibenspies, Joseph H.; Hall, Michael B.; Darenbourg, Marcetta Y. Redox active iron nitrosyl units in proton reduction electrocatalysis Nature Communications, 2014, 5, 3684 |
1547511 | CIF | C23 H41 F3 N3 O3 S | P b c a | 17.684; 17.465; 33.978 90; 90; 90 | 10494 | Mandal, Debdeep; Dolai, Ramapada; Chrysochos, Nicolas; Kalita, Pankaj; Kumar, Ravi; Dhara, Debabrata; Maiti, Avijit; Narayanan, Ramakirushnan Suriya; Rajaraman, Gopalan; Schulzke, Carola; Chandrasekhar, Vadapalli; Jana, Anukul Stepwise Reversible Oxidation of N-Peralkyl-Substituted NHC-CAAC Derived Triazaalkenes: Isolation of Radical Cations and Dications. Organic letters, 2017, 19, 5605-5608 |
1547516 | CIF | C44 H76 Dy Fe2 N4 Si4 | P b c a | 20.025; 19.663; 24.499 90; 90; 90 | 9647 | Dickie, Courtney M.; Laughlin, Alexander L.; Wofford, Joshua D.; Bhuvanesh, Nattamai; Nippe, Michael Transition Metal Redox Switches for Reversible “On/Off” and “Slow/Fast” Single-Molecule Magnet Behaviour in Dysprosium and Erbium bis-Diamidoferrocene Complexes Chem. Sci., 2017 |
1547517 | CIF | C44 H76 Er Fe2 N4 Si4 | P b c a | 19.7942; 19.8223; 24.603 90; 90; 90 | 9653.4 | Dickie, Courtney M.; Laughlin, Alexander L.; Wofford, Joshua D.; Bhuvanesh, Nattamai; Nippe, Michael Transition Metal Redox Switches for Reversible “On/Off” and “Slow/Fast” Single-Molecule Magnet Behaviour in Dysprosium and Erbium bis-Diamidoferrocene Complexes Chem. Sci., 2017 |
1547524 | CIF | C22.78 H30.48 Ag4 N1.7 Na6.96 Ni2 O35.69 S8 | P b c a | 25.054; 17.452; 26.296 90; 90; 90 | 11498 | Biltek, Scott R.; Reber, Arthur C.; Khanna, Shiv N.; Sen, Ayusman Complete Ag4M2(DMSA)4 (M = Ni, Pd, Pt, DMSA = Dimercaptosuccinic Acid) Cluster Series: Optical Properties, Stability, and Structural Characterization. The journal of physical chemistry. A, 2017, 121, 5324-5331 |
1547526 | CIF | C35 H31 F12 N3 O P2 | P b c a | 13.703; 22.2261; 23.066 90; 90; 90 | 7025.1 | Buckley, Laura E. R.; Coe, Benjamin J.; Rusanova, Daniela; Joshi, Vishwas D.; Sánchez, Sergio; Jirásek, Michael; Vávra, Jan; Khobragade, Dushant; Severa, Lukáš; Císařová, Ivana; Šaman, David; Pohl, Radek; Clays, Koen; Depotter, Griet; Brunschwig, Bruce S.; Teplý, Filip Tunable Chiral Second-Order Nonlinear Optical Chromophores Based on Helquat Dications. The journal of physical chemistry. A, 2017, 121, 5842-5855 |
1547678 | CIF | C16 H15 N O3 | P b c a | 11.8722; 8.4475; 26.7964 90; 90; 90 | 2687.42 | Chen, Rongxiang; Zhao, Yanwei; Fang, Shangwen; Long, Wenhao; Sun, Hongmei; Wan, Xiaobing Coupling Reaction of Cu-Based Carbene and Nitroso Radical: A Tandem Reaction To Construct Isoxazolines. Organic letters, 2017, 19, 5896-5899 |
1547688 | CIF | C25 H16 F6 O13 P4 Zr2.69 | P b c a | 23.9163; 13.5859; 26.106 90; 90; 90 | 8482.5 | Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system Nature Communications, 2017, 8, 15369 |
1547766 | CIF | C24 H20 Cl0 N2 O5 S | P b c a | 11.3088; 13.4942; 27.4368 90; 90; 90 | 4186.9 | Pal, Kuntal; Shukla, Rahul K.; Volla, Chandra M. R. Rh(II)-Catalyzed Denitrogenative Reaction of N-Sulfonyl-1,2,3-triazoles with Isatins for the Construction of Indigoids. Organic letters, 2017, 19, 5764-5767 |
1547801 | CIF | C11 H11 I O2 Se | P b c a | 12.931; 10.477; 18.151 90; 90; 90 | 2459.1 | Maity, Pintu; Paroi, Bidisha; Ranu, Brindaban C. Transition-Metal-Free Iodine Catalyzed Selenocayanation of Styrenyl Bromides and an Easy Access to Benzoselenophenes via Intermediacy of Styrenyl Selenocyanate. Organic letters, 2017, 19, 5748-5751 |
1547867 | CIF | B2 Ca Fe0.369 Mg0.631 O5 | P b c a | 36.2342; 11.182; 5.5197 90; 90; 90 | 2236.42 | Hayashi, A.; Momma, K.; Miyawaki, R.; Tanabe, M.; Kishi, S.; Kobayashi, S.; Kusachi, I. Kurchatovite from the Fuka mine, Okayama Prefecture, Japan Journal of Mineralogical and Petrological Sciences, 2017, 112, 159-165 |
1547907 | CIF | C22 H16 Cl F3 | P b c a | 10.6429; 17.14; 19.551 90; 90; 90 | 3566.5 | Lim, 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 |
1547948 | CIF | C60 H78.56 As2 Fe N12 O19.28 | P b c a | 21.088; 21.0711; 29.6134 90; 90; 90 | 13158.6 | Stefania Tomyn; Sergii I. Shylin; Dmytro Bykov; Vadim Ksenofontov; Elzbieta Gumienna-Kontecka; Volodymyr Bon; Igor O. Fritsky Indefinitely stable iron(IV) cage complexes formed in water by air oxidation Nature Communications, 2017, 8, 14099 |
1548053 | CIF | C26 H17 N | P b c a | 8.2997; 33.2041; 12.4646 90; 90; 90 | 3435 | Suzuki, Tsuyoshi; Okada, Hiroshi; Nakagawa, Takafumi; Komatsu, Kazuki; Fujimoto, Chikako; Kagi, Hiroyuki; Matsuo, Yutaka A fluorenylidene-acridane that becomes dark in color upon grinding - ground state mechanochromism by conformational change. Chemical science, 2018, 9, 475-482 |
1548086 | CIF | C66 H150 K2 N10 Si6 U2 | P b c a | 13.8074; 23.2204; 26.3621 90; 90; 90 | 8452 | David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes Nature Communications, 2016, 7, 13773 |
1548087 | CIF | C66 H150 N10 Rb2 Si6 U2 | P b c a | 13.7527; 23.1023; 26.7606 90; 90; 90 | 8502.4 | David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes Nature Communications, 2016, 7, 13773 |
1548250 | CIF | C50.75 H48.5 Cl0.75 N | P b c a | 13.17; 34.623; 36.534 90; 90; 90 | 16659 | Hiroki Yokoi; Yuya Hiraoka; Satoru Hiroto; Daisuke Sakamaki; Shu Seki; Hiroshi Shinokubo Nitrogen-embedded buckybowl and its assembly with C60 Nature Communications, 2015, 6, 8215 |
1548448 | CIF | C25 H40 O5 Si | P b c a | 11.5577; 16.8408; 24.6521 90; 90; 90 | 4798.3 | Jing Gong; Huan Chen; Xiao-Yu Liu; Zhi-Xiu Wang; Wei Nie; Yong Qin Total synthesis of atropurpuran Nature Communications, 2016, 7, 12183 |
1548531 | CIF | C19 H46 Cl4 Eu N8 O Zn | P b c a | 16.9858; 18.4496; 18.8816 90; 90; 90 | 5917.1 | Jenks, Tyler C.; Bailey, Matthew D.; Hovey, Jessica L.; Fernando, Shanilke; Basnayake, Gihan; Cross, Michael E.; Li, Wen; Allen, Matthew J. First use of a divalent lanthanide for visible-light-promoted photoredox catalysis. Chemical science, 2018, 9, 1273-1278 |
1548600 | CIF | C42 H62 B2 N4 Se | P b c a | 17.8352; 16.7797; 28.365 90; 90; 90 | 8488.8 | Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity. Chemical science, 2018, 9, 2252-2260 |
1548601 | CIF | C54 H86 B2 N4 O3 S4 | P b c a | 16.39; 17.61; 38.28 90; 90; 90 | 11049 | Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian D.; Kupfer, Thomas; Böhnke, Julian; Braunschweig, Holger Closely related yet different: a borylene and its dimer are non-interconvertible but connected through reactivity. Chemical science, 2018, 9, 2252-2260 |
1548634 | CIF | C19 H27 N O S | P b c a | 13.4779; 8.1983; 31.894 90; 90; 90 | 3524.2 | Shen, Xianwang; Gong, Honghong; Zhou, Yang; Zhao, Yucheng; Lin, Jun; Chen, Mao Unsymmetrical difunctionalization of cyclooctadiene under continuous flow conditions: expanding the scope of ring opening metathesis polymerization. Chemical science, 2018, 9, 1846-1853 |
1548655 | CIF | C89 H139 N4 Ni2 O4 | P b c a | 29.9305; 12.1234; 47.9429 90; 90; 90 | 17396.5 | Clarke, Ryan M.; Jeen, Tiffany; Rigo, Serena; Thompson, John R.; Kaake, Loren G.; Thomas, Fabrice; Storr, Tim Exploiting exciton coupling of ligand radical intervalence charge transfer transitions to tune NIR absorption. Chemical science, 2018, 9, 1610-1620 |
1548677 | CIF HKL Paper | C5 H3 Cl N2 O3 | P b c a | 5.9238; 9.735; 22.444 90; 90; 90 | 1294.3 | Shafer, Sarah K.; Lynch, Will E.; Padgett, Clifford W. 2-Chloro-4-nitropyridine <i>N</i>-oxide IUCrData, 2018, 3, x180016 |
1548685 | CIF HKL Paper | C10 H11 F3 N2 O | P b c a | 9.8152; 10.0783; 22.512 90; 90; 90 | 2226.9 | El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alshammari, Mohammed B.; Kariuki, Benson M. 1,1-Dimethyl-3-[4-(trifluoromethyl)phenyl]urea IUCrData, 2018, 3, x180040 |
1548790 | CIF HKL Paper | C13 H9 N O4 | P b c a | 11.517; 8.7431; 22.2595 90; 90; 90 | 2241.4 | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alotaibi, Mohammad Hayal; Hegazy, Amany S.; Kariuki, Benson M. Methyl 5-(1-benzofuran-2-yl)isoxazole-3-carboxylate IUCrData, 2017, 2, x171820 |
1548791 | CIF HKL Paper | C19 H14 Br F N2 O | P b c a | 13.4521; 7.181; 34.204 90; 90; 90 | 3304.1 | Kalecik, Sedanur; Yavuz, Metin; Kavraz, Fatih; Eserci, Hande; Ağar, Erbil (<i>E</i>)-2-{[(4-Anilinophenyl)imino]methyl}-4-bromo-5-fluorophenol IUCrData, 2017, 2, x171708 |
1548827 | CIF | C27 H33 Cl3 Cr N7 O2 | P b c a | 18.2412; 14.5616; 23.1101 90; 90; 90 | 6138.53 | Nobbs, James D.; Tomov, Atanas K.; Young, Craig T.; White, Andrew J. P.; Britovsek, George J. P. From alternating to selective distributions in chromium-catalysed ethylene oligomerisation with asymmetric BIMA ligands Catalysis Science & Technology, 2018, 8, 1314 |
1548847 | CIF | C26 H22 F9 Li3 N12 O5 | P b c a | 19.704; 13.9512; 26.6779 90; 90; 90 | 7333.61 | Dranka, Maciej; Jankowski, Piotr; Żukowska, Grażyna Z. Snapshots of the Hydrolysis of Lithium 4,5-Dicyanoimidazolate‒Glyme Solvates. Impact of Water Molecules on Aggregation Processes in Lithium-Ion Battery Electrolytes The Journal of Physical Chemistry C, 2018 |
1548870 | CIF | C33 H59 B Cl N5 O | P b c a | 15.6878; 12.3457; 36.8495 90; 90; 90 | 7136.9 | Hadlington, T. J.; Szilvási, T; Driess, M. Striking transformations of the hydroborylene ligand in a HB:\ρightarrow Ni<sup>II</sup> complex with isocyanides and CO. Chemical science, 2018, 9, 2595-2600 |
1548900 | CIF | C16 H24 Co F6 N4 O6 S2 | P b c a | 9.312; 16.956; 29.498 90; 90; 90 | 4657.6 | Call, Arnau; Franco, Federico; Kandoth, Noufal; Fernández, Sergio; González-Béjar, María; Pérez-Prieto, Julia; Luis, Josep M.; Lloret-Fillol, Julio Understanding light-driven H<sub>2</sub> evolution through the electronic tuning of aminopyridine cobalt complexes. Chemical science, 2018, 9, 2609-2619 |
1548997 | CIF | C25 H22 F3 N O3 S | P b c a | 16.8152; 15.0512; 17.5637 90; 90; 90 | 4445.18 | Das, Pulakesh; Gondo, Satoshi; Nagender, Punna; Uno, Hiroto; Tokunaga, Etsuko; Shibata, Norio Access to benzo-fused nine-membered heterocyclic alkenes with a trifluoromethyl carbinol moiety <i>via</i> a double decarboxylative formal ring-expansion process under palladium catalysis. Chemical science, 2018, 9, 3276-3281 |
1549032 | CIF | C16 H16 N4 O | P b c a | 7.6447; 13.1287; 29.1836 90; 90; 90 | 2929.01 | Meisner, Quinton J.; Accardo, Joseph V.; Hu, Guoxiang; Clark, Ronald J.; Jiang, De-En; Zhu, Lei Fluorescence of Hydroxyphenyl-Substituted "Click" Triazoles. The journal of physical chemistry. A, 2018, 122, 2956-2973 |
1549112 | CIF | C18 H30 F4 I2 Ni P2 | P b c a | 14.0519; 14.4485; 24.3473 90; 90; 90 | 4943.2 | Thangavadivale, Vargini; Aguiar, Pedro M.; Jasim, Naseralla A.; Pike, Sarah J.; Smith, Dan A.; Whitwood, Adrian C.; Brammer, Lee; Perutz, Robin N. Self-complementary nickel halides enable multifaceted comparisons of intermolecular halogen bonds: fluoride ligands <i>vs.</i> other halides. Chemical science, 2018, 9, 3767-3781 |
1549138 | CIF | C48 H52 O P2 | P b c a | 16.9466; 20.6986; 23.0289 90; 90; 90 | 8077.9 | Dhara, Debabrata; Kalita, Pankaj; Mondal, Subhadip; Narayanan, Ramakirushnan Suriya; Mote, Kaustubh R.; Huch, Volker; Zimmer, Michael; Yildiz, Cem B.; Scheschkewitz, David; Chandrasekhar, Vadapalli; Jana, Anukul Reactivity enhancement of a diphosphene by reversible N-heterocyclic carbene coordination. Chemical science, 2018, 9, 4235-4243 |
1549185 | CIF | C7 H15 I3 N2 Pb | P b c a | 18.6221; 8.0211; 20.4046 90; 90; 90 | 3047.83 | Xue, Chen; Yao, Zhi-Yuan; Zhang, Jin; Liu, Wen-Long; Liu, Jian-Lan; Ren, Xiao-Ming Extra thermo- and water-stable one-dimensional organic-inorganic hybrid perovskite [N-methyldabconium]PbI<sub>3</sub> showing switchable dielectric behaviour, conductivity and bright yellow-green emission. Chemical communications (Cambridge, England), 2018, 54, 4321-4324 |
1549197 | CIF | C57 H74 N2 O8 Zn | P b c a | 13.9091; 26.4208; 28.6342 90; 90; 90 | 10522.8 | Ullmann, Steve; Schnorr, René; Laube, Christian; Abel, Bernd; Kersting, Berthold Photoluminescence properties of tetrahedral zinc(ii) complexes supported by calix[4]arene-based salicylaldiminato ligands. Dalton transactions (Cambridge, England : 2003), 2018, 47, 5801-5811 |
1549228 | CIF | C34 H50 B N2 O5 P | P b c a | 19.707; 17.611; 20.439 90; 90; 90 | 7094 | Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T. Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes. Chemical science, 2018, 9, 4338-4347 |
1549253 | CIF | C26 H49 F3 Ir N2 O2 P2 | P b c a | 14.6519; 15.5746; 27.2406 90; 90; 90 | 6216.2 | Kinauer, Markus; Diefenbach, Martin; Bamberger, Heiko; Demeshko, Serhiy; Reijerse, Edward J.; Volkmann, Christian; Würtele, Christian; van Slageren, Joris; de Bruin, Bas; Holthausen, Max C.; Schneider, Sven An iridium(iii/iv/v) redox series featuring a terminal imido complex with triplet ground state. Chemical science, 2018, 9, 4325-4332 |
1549277 | CIF | C38 H37 B Cl4 F15 P | P b c a | 20.8497; 16.0333; 23.8954 90; 90; 90 | 7988 | Wang, Long; Kehr, Gerald; Daniliuc, Constantin G.; Brinkkötter, Melanie; Wiegand, Thomas; Wübker, Anna-Lena; Eckert, Hellmut; Liu, Lei; Brandenburg, Jan Gerit; Grimme, Stefan; Erker, Gerhard Solid state frustrated Lewis pair chemistry. Chemical science, 2018, 9, 4859-4865 |
1549287 | CIF | C93 H100 B2 Co F27 N8 O4 S | P b c a | 21.493; 22.3378; 38.715 90; 90; 90 | 18587 | Hill, Ethan A.; Kelty, Margaret L.; Filatov, Alexander S.; Anderson, John S. Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity. Chemical science, 2018, 9, 4493-4499 |
1549314 | CIF | C58 H46 B F24 Na O9 | P b c a | 19.142; 24.665; 26.029 90; 90; 90 | 12289 | Löw, Henrik; Mena-Osteritz, Elena; von Delius, Max Self-assembled orthoester cryptands: orthoester scope, post-functionalization, kinetic locking and tunable degradation kinetics. Chemical science, 2018, 9, 4785-4793 |
1549348 | CIF HKL Paper | C13 H15 N5 O2 S | P b c a | 18.2763; 7.5909; 20.0571 90; 90; 90 | 2782.59 | Choudhury, Manisha; Viswanathan, Vijayan; Timiri, Ajay Kumar; Sinha, Barij Nayan; Jeyaprakash, Venkatesan; Velmurugan, Devadasan 2-[(4,6-Diaminopyrimidin-2-yl)sulfanyl]-<i>N</i>-(4-methoxyphenyl)acetamide IUCrData, 2018, 3, x180600 |
1549378 | CIF | C20 H28 Cl2 N2 Pd | P b c a | 13.5058; 13.9638; 21.6147 90; 90; 90 | 4076.4 | Zheng, Ting; Liao, Heng; Gao, Jie; Zhong, Liu; Gao, Haiyang; Wu, Qing Synthesis and characterization of α-diamine palladium complexes and insight into hybridization effects of nitrogen donor atoms on norbornene (co)polymerizations Polymer Chemistry, 2018, 9, 3088 |
1549431 | CIF | C14 H19 B11 Br6 Si | P b c a | 18.5845; 14.7047; 19.673 90; 90; 90 | 5376.23 | Omann, 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 |
1549553 | CIF | C4 H13 Cu O8 P | P b c a | 10.0717; 9.612; 21.809 90; 90; 90 | 2111.3 | Köferstein, Roberto; Arnold, Michael; Robl, Christian Crystal Structure and Characterization of Two Layered Copper(II) Coordination Polymers with Anions of 3-Phosphonopropionic Acid and (RS )-2-Phosphonobutyric Acid' Zeitschrift für anorganische und allgemeine Chemie, 2018, 644, 205 |
1549554 | CIF | C3 H9 Cu O7 P | P b c a | 8.1247; 9.19; 21.023 90; 90; 90 | 1569.7 | Köferstein, Roberto; Arnold, Michael; Robl, Christian Crystal Structure and Characterization of Two Layered Copper(II) Coordination Polymers with Anions of 3-Phosphonopropionic Acid and (RS )-2-Phosphonobutyric Acid' Zeitschrift für anorganische und allgemeine Chemie, 2018, 644, 205 |
1549606 | CIF HKL Paper | C28 H30 Mo N2 O4 P2 | P b c a | 15.634; 17.716; 21.661 90; 90; 90 | 5999 | Höhne, Martha; Gongoll, Marc; Spannenberg, Anke; Müller, Bernd H.; Peulecke, Normen; Rosenthal, Uwe Tetracarbonyl[<i>N</i>-(diphenylphosphanyl-κ<i>P</i>)-<i>N</i>,<i>N</i>'-diisopropyl-<i>P</i>-phenylphosphorus diamide-κ<i>P</i>]molybdenum(0) with an unknown solvent IUCrData, 2018, 3, x180846 |
1549631 | CIF | C47 H81 B Fe N3 P3 Si2 | P b c a | 11.3085; 24.2407; 37.5101 90; 90; 90 | 10282.5 | Deegan, Meaghan M.; Peters, Jonas C. Electrophile-promoted Fe-to-N<sub>2</sub> hydride migration in highly reduced Fe(N<sub>2</sub>)(H) complexes. Chemical science, 2018, 9, 6264-6270 |
1549700 | CIF | C252 H300 N20 | P b c a | 30.1086; 31.9945; 46.8128 90; 90; 90 | 45095.2 | Umetani, Masataka; Tanaka, Takayuki; Osuka, Atsuhiro Conjugated double helices via self-dimerization of α,α’-Dianilinotripyrrins Chemical Science, 2018 |
1549704 | CIF | C14 H26 N O4 Sb | P b c a | 8.0941; 43.971; 8.3622 90; 90; 90 | 2976.2 | Moaven, Shiva; Yu, Jingze; Vega, Maythe; Unruh, Daniel K.; Cozzolino, Anthony F. Self-assembled reversed bilayers directed by pnictogen bonding to form vesicles in solution. Chemical communications (Cambridge, England), 2018, 54, 8849-8852 |
1549714 | CIF HKL Paper | C22 H15 N O2 S | P b c a | 9.265; 10.3523; 36.0698 90; 90; 90 | 3459.6 | Bakhouch, Mohamed; El Yazidi, Mohamed; Al Houari, Ghali; Saadi, Mohamed; El Ammari, Lahcen 3',4'-Diphenyl-3<i>H</i>,4'<i>H</i>-spiro[benzo[<i>b</i>]thiophene-2,5'-isoxazol]-3-one IUCrData, 2018, 3, x181019 |
1549775 | CIF | C25 H15 N S2 | P b c a | 18.7793; 7.4521; 50.3987 90; 90; 90 | 7053.06 | Kitano, Hiroyuki; Matsuoka, Wataru; Ito, Hideto; Itami, Kenichiro Annulative π-extension of indoles and pyrroles with diiodobiaryls by Pd catalysis: rapid synthesis of nitrogen-containing polycyclic aromatic compounds. Chemical science, 2018, 9, 7556-7561 |
1549795 | CIF HKL Paper | C15 H22 I N | P b c a | 15.631; 11.614; 16.976 90; 90; 90 | 3082 | da Costa Duarte, Rodrigo; Kommers Reimann, Louise; Severo Rodembusch, Fabiano; Gustavo Teixeira Alves Duarte, Luís 1-Butyl-2,3,3-trimethylindol-1-ium iodide IUCrData, 2018, 3, x181130 |
1549799 | CIF | C64 H53 Cl6 Fe3 N11 | P b c a | 18.9606; 18.7387; 34.1557 90; 90; 90 | 12135.4 | Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo. Chemical science, 2018, 9, 7843-7858 |
1549802 | CIF | C64 H53 Br6 Fe3 N11 | P b c a | 19.0269; 18.8487; 35.2474 90; 90; 90 | 12640.9 | Rana, Sujoy; Biswas, Jyoti Prasad; Sen, Asmita; Clémancey, Martin; Blondin, Geneviève; Latour, Jean-Marc; Rajaraman, Gopalan; Maiti, Debabrata Selective C-H halogenation over hydroxylation by non-heme iron(iv)-oxo. Chemical science, 2018, 9, 7843-7858 |
1549858 | CIF | C23 H26 Ir N O3 | P b c a | 16.13031; 14.54437; 17.33703 90; 90; 90 | 4067.36 | Pèrez-Miqueo, Jorge; San Nacianceno, Virginia; Urquiola, F. Borja; Freixa, Zoraida Revisiting the iridacycle-catalyzed hydrosilylation of enolizable imines Catalysis Science & Technology, 2018, 8, 6316 |
1549876 | CIF | C13 H14 Cl N O3 | P b c a | 9.1082; 10.2539; 25.5319 90; 90; 90 | 2384.5 | Glassner, Mathias; Verbraeken, Bart; Jerca, Valentin Victor; Van Hecke, Kristof; Tsanaktsidis, John; Hoogenboom, Richard Poly(2-oxazoline)s with pendant cubane groups Polymer Chemistry, 2018, 9, 4840 |
1550042 | CIF | C64 H80 Cl12 N8 Zn2 | P b c a | 21.712; 13.037; 54.215 90; 90; 90 | 15346 | Sánchez-Roa, David; Santiago, Tomás G; Fernández-Millán, Maria; Cuenca, Tomás; Palma, Pilar; Cámpora, Juan; Mosquera, Marta E. G. Interaction of an imidazolium-2-amidinate (NHC-CDI) zwitterion with zinc dichloride in dichloromethane: role as ligands and C-Cl activation promoters. Chemical communications (Cambridge, England), 2018, 54, 12586-12589 |
1550095 | CIF | C22 H14 N2 O | P b c a | 8.23403; 10.88902; 34.457 90; 90; 90 | 3089.43 | Sirbu, Dumitru; Wales, Rebecca; Geary, David R.; Waddell, Paul G.; Benniston, Andrew C. Rosindone revisited: a computational and photophysical study of 7-phenylbenzo[a]phenazine-5(7H)-one (PBP). Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2019, 18, 140-147 |
1550189 | CIF | C20 H27 B F4 Fe N2 Ni O S Se | P b c a | 16.309; 11.4239; 24.8441 90; 90; 90 | 4628.8 | Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y. Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites Chemical Science, 2019 |
1550190 | CIF | C20 H27 B0.78 Cl0.22 F3.13 Fe N2 Ni O S2 | P b c a | 16.2504; 11.3127; 24.8851 90; 90; 90 | 4574.8 | Yang, Xuemei; Elrod, Lindy C.; Reibenspies, Joseph; Hall, Michael B.; Darensbourg, Marcetta Y. Oxygen Uptake in Complexes Related to [NiFeS] and [NiFeSe] Hydrogenase Active Sites Chemical Science, 2019 |
1550205 | CIF | C22 H38 N4 O2 | P b c a | 8.9115; 16.2345; 32.4328 90; 90; 90 | 4692.17 | Dawn, Arnab; Mirzamani, Marzieh; Jones, Christopher D.; Yufit, Dmitry S.; Qian, Shuo; Steed, Jonathan W.; Kumari, Harshita Investigating the effect of supramolecular gel phase crystallization on gel nucleation. Soft matter, 2018, 14, 9489-9497 |
1550247 | CIF | C10 H16 Hg2 I4 N4 S2 | P b c a | 10.1454; 15.0815; 15.2995 90; 90; 90 | 2340.94 | Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach. Metallomics : integrated biometal science, 2019, 11, 213-225 |
1550378 | CIF | C27 H23 N O2 | P b c a | 37.682; 6.9971; 15.2009 90; 90; 90 | 4007.9 | Zhang, Yuchen; Wu, Wangteng; Fu, Chunling; Huang, Xin; Ma, Shengming Benzene Construction via Pd-catalyzed Cyclization of 2,7-Alkadiynylic Carbonates in the Presence of Alkynes Chemical Science, 2019 |
1550441 | CIF | C7 H15 I N2 O | P b c a | 13.4725; 9.8551; 32.7259 90; 90; 90 | 4345.11 | Babor, Martin; Nievergelt, Philipp P.; Čejka, Jan; Zvoníček, Vít; Spingler, Bernhard Microbatch under-oil salt screening of organic cations: single-crystal growth of active pharmaceutical ingredients IUCrJ, 2019, 6, 145-151 |
1550473 | CIF | C46 H68 Al2 N2 | P b c a | 17.2467; 13.0572; 18.6141 90; 90; 90 | 4191.8 | Braunschweig, Holger; Kupfer, Thomas; Hofmann, Alexander; Tröster, Tobias Monomeric Cp3tAl(I): Synthesis, reactivity, and the concept of valence isomerism Chemical Science, 2019 |
1550496 | CIF | C19 H16 Au Cl N O P | P b c a | 12.7694; 7.3282; 38.4557 90; 90; 90 | 3598.56 | Gruetzmacher, Hansjoerg; Hou, Yuanfeng; Li, Zhongshu; Li, Yaqi; Su, Cheng-Yong; Puschmann, Florian; Liu, Peng Making the Unconventional μ2-P Bridging Binding Mode More Conventional in Phosphinine Complexes Chemical Science, 2019 |
1550538 | CIF | C30 H23 F6 Ir N5 P | P b c a | 10.9356; 15.8786; 33.0214 90; 90; 90 | 5733.9 | Chen, Mu-He; Zheng, Yue; Cai, Xiong-Jie; zhang, hang; Wang, Fang-Xin; Tan, Caiping; Chen, Wen-Hua; Ji, Liangnian; Mao, Zong-Wan Inhibition of Autophagic Flux by Cyclometalated Iridium(III) Complexes through Anion Transportation Chemical Science, 2019 |
1550545 | CIF | C60 H70 Mg2 N4 | P b c a | 15.3389; 14.0741; 23.7894 90; 90; 90 | 5135.7 | Jones, 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 |
1550563 | CIF | C33 H59 Cu3.12 Li0.88 N3 | P b c a | 11.3883; 18.8747; 31.9081 90; 90; 90 | 6858.7 | Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu A new route to the efficient metalation of unfunctionalized aromatics Chemical Science, 2019 |
1550565 | CIF | C30 H46 Cu2 Li2 N2 | P b c a | 8.6647; 16.1964; 21.7364 90; 90; 90 | 3050.42 | Wheatley, Andrew; Peel, Andrew; Tezuka, Noriyuki; D'Rozario, James; Uchiyama, Masanobu A new route to the efficient metalation of unfunctionalized aromatics Chemical Science, 2019 |
1550587 | CIF HKL Paper | C27 H17 Cl F N3 O2 S | P b c a | 7.9243; 23.7112; 24.927 90; 90; 90 | 4683.7 | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Alqahtani, Alaa; Hegazy, Amany S.; Kariuki, Benson M. 3-{2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1<i>H</i>-pyrazol-1-yl]thiazol-4-yl}-3,8a-dihydro-2<i>H</i>-chromen-2-one IUCrData, 2019, 4, x190170 |
1550633 | CIF | C12 H12 O2 S | P b c a | 16.151; 7.314; 19.036 90; 90; 90 | 2249 | Zhou, Hui; Zhang, Rui; zhang, hui; Mu, Sen; Lu, Xiaobing Organocatalytic Cycloaddition of Carbonyl Sulfide with Propargylic Alcohols to 1,3-Oxathiolan-2-ones Catalysis Science & Technology, 2019 |
1550676 | CIF | C18 H26 F3 N O3 S | P b c a | 8.2322; 16.009; 30.617 90; 90; 90 | 4035 | Mandal, Debdeep; Sobottka, Sebastian; Dolai, Ramapada; Maiti, Avijit; Dhara, Debabrata; Kalita, Pankaj; Narayanan, Ramakirushnan Surya; Chandrasekhar, Vadapalli; Sarkar, Biprajit; Jana, Anukul Direct Access to 2-Aryl Substituted Pyrrolinium Salts for Carbon Centre Based Radicals without Pyrrolidine-2-Ylidene alias cyclic(Alkyl)(Amino)Carbene (CAAC) as a Precursor Chemical Science, 2019 |
1550696 | CIF | C25 H22 I N3 O S2 | P b c a | 13.4772; 20.032; 20.904 90; 90; 90 | 5643.6 | Shi, Donglei; Chen, Shuqiang; Dong, Biao; Zhang, Yanhui; Sheng, Chunquan; James, Tony D.; Guo, Yuan Evaluation of HOCl-generating anticancer agents by an ultrasensitive dual-mode fluorescent probe Chemical Science, 2019 |
1550770 | CIF | C30 H18 Br2 N2 | P b c a | 7.0412; 22.373; 29.798 90; 90; 90 | 4694.2 | Colin-Molina, Abraham; Jellen, Marcus J.; García-Quezada, Eduardo; Cifuentes-Quintal, Miguel Eduardo; Murillo, Fernando; Barroso, Jorge; Pérez-Estrada, Salvador; Toscano, Rubén A.; Merino, Gabriel; Rodríguez-Molina, Braulio Origin of the isotropic motion in crystalline molecular rotors with carbazole stators Chemical Science, 2019 |
1550868 | CIF | C18 H11 Br2 N | P b c a | 14.9529; 8.173; 24.26 90; 90; 90 | 2964.8 | Yuan, Jie; Chen, Run-Feng; Tang, Xingxing; Tao, Ye; Xu, Shen; Jin, Lu; Chen, Cailin; Zhou, Xinhui; Zheng, Chao; Huang, Wei Direct Populating Triplet Excited States through Singlet-Triplet Transition for Visible-Light Excitable Organic Afterglow Chemical Science, 2019 |
1550895 | CIF | C55 H63 Cl N2 O12 Pd | P b c a | 22.26; 22.2598; 25.7392 90; 90; 90 | 12753.9 | Ma, Xin; Hu, Xiaoqiang; Zhang, Yixin; Mu, Hongliang; Cui, Lei; Jian, Zhongbao Preparation and in situ chain-end-functionalization of branched ethylene oligomers by monosubstituted α-diimine nickel catalysts Polymer Chemistry, 2019, 10, 2596 |
1550961 | CIF | C19 H17 N3 O4 | P b c a | 10.5086; 12.016; 27.2839 90; 90; 90 | 3445.2 | Cuadros, Sara; Horwitz, Matthew; Schweitzer-Chaput, Bertrand; Melchiorre, Paolo A visible-light mediated three-component radical process using dithiocarbamate anion catalysis Chemical Science, 2019 |
1550998 | CIF | C20 H24 Br2 S2 | P b c a | 10.1337; 12.5991; 30.3 90; 90; 90 | 3868.6 | Chaudhuri, Saikat; Mohanan, Manikandan; Willems, Andreas V.; Bertke, Jeffery A.; Gavvalapalli , Nagarjuna β-Strand Inspired Bifacial π-Conjugated Polymers Chemical Science, 2019 |
1550999 | CIF | C16 H20 Br2 S2 | P b c a | 12.542; 9.1015; 28.8047 90; 90; 90 | 3288.1 | Chaudhuri, Saikat; Mohanan, Manikandan; Willems, Andreas V.; Bertke, Jeffery A.; Gavvalapalli , Nagarjuna β-Strand Inspired Bifacial π-Conjugated Polymers Chemical Science, 2019 |
1551020 | CIF HKL Paper | C12 H12 O3 | P b c a | 10.8313; 7.618; 24.1463 90; 90; 90 | 1992.38 | Lough, Alan J.; Hill, Jarvis; Tam, William 1-[(1<i>R</i>*,2<i>R</i>*)-1,2-Dihydroxy-1,2-dihydronaphthalen-1-yl]ethan-1-one IUCrData, 2019, 4, x190609 |
1551151 | CIF | C44 H71 B Mg N4 O2 | P b c a | 21.3924; 18.277; 22.9162 90; 90; 90 | 8959.98 | Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F. Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process Chemical Science, 2019 |
1551154 | CIF | C46 H68 B Mg N3 O2 | P b c a | 20.5267; 19.7717; 21.7073 90; 90; 90 | 8809.86 | Pecharman, Anne-Frederique; Hill, Michael; McMullon, Grace; McMullin, Claire; Mahon, Mary F. Snapshots of Magnesium-Centred Diborane Heterolysis by an Outer Sphere SN2 Process Chemical Science, 2019 |
1551491 | CIF | C30 H20 | P b c a | 9.8337; 11.6263; 35.5613 90; 90; 90 | 4065.71 | Paul J. Evans; Evan R. Darzi; Ramesh Jasti Efficient room-temperature synthesis of a highly strained carbon nanohoop fragment of buckminsterfullerene Nature Chemistry, 2014, 6, 404-408 |
1551494 | CIF | C15 H12 N2 O2 | P b c a | 16.5065; 7.0663; 21.0475 90; 90; 90 | 2455 | Rodriguez, Jessica; Zeineddine, Abdallah; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Saffon, Nathalie; Amgoune, Abderrahmane; Bourissou, Didier Catalytic Au(I)/Au(III) Arylation with the Hemilabile MeDalphos Ligand: Unusual Selectivity for Electron-Rich Iodoarenes and Efficient Application to Indoles Chemical Science, 2019 |
1551599 | CIF | C10 H9 Br N4 O | P b c a | 23.6829; 7.5558; 24.1777 90; 90; 90 | 4326.4 | HWANG, Long-Chih; CHUANG, Chung-Lin; SU, Chun-Wei; LEE, Gene-Hsiang Packing of Two Independent Molecules: 3-Amino-2-benzyl-6-bromo-1,2,4-triazin-5(2<i>H</i>)-one X-ray Structure Analysis Online, 2016, 32, 33 |
1551644 | CIF | C10 H13 Cl F N O2 | P b c a | 24.679; 9.873; 9.253 90; 90; 90 | 2254.5 | Guillon, Jean; Pinaud, Noël; Marchivie, Mathieu; Ronga, Luisa; Benazzouz, Abdelhamid; Moreau, Stéphane Crystal Structure of a Fluoro Analogue of 3,4-(Methylenedioxy)amphetamine X-ray Structure Analysis Online, 2015, 31, 23 |
1551711 | CIF | C18 H18 O4 | P b c a | 36.993; 10.1567; 8.3441 90; 90; 90 | 3135.1 | RANGANATHA, V. Lakshmi; VINUTHA, N.; KHANUM, Shaukath A.; ANTHAL, Sumati; REVANNASIDDAIAH, D.; Rajnikant,; GUPTA, Vivek K. Crystal Structure of (4-Benzoyl-2-methyl-phenoxy)-acetic acid ethyl ester X-ray Structure Analysis Online, 2012, 28, 27 |
1551755 | CIF | C9 H8 Cl3 N O | P b c a | 5.564; 14.832; 26.399 90; 90; 90 | 2178.6 | YANG, Hai-Yu; LI, Yu-Feng; LIU, Shan; FENG, Mei-Li; ZHU, Hong-Jun Crystal Structure of 3-Chloro-4-(3,3-dichloroallyloxy)benzenamine X-ray Structure Analysis Online, 2010, 26, 51 |
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