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COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
1516097	CIF	C11 H12 O5	C 1 c 1	10.4253; 12.8651; 8.1381 90; 109.962; 90	1025.92	Barradas, Silvia; Hernández-Torres, Gloria; Urbano, Antonio; Carreño, M Carmen Total synthesis of natural p-quinol cochinchinenone. Organic letters, 2012, 14, 5952-5955
1516099	CIF	C23 H20 N2 O	P 1 21 1	6.4088; 17.279; 8.579 90; 101.67; 90	930.4	Cai, Zhong-Jian; Wang, Shun-Yi; Ji, Shun-Jun CuI/BF3·Et2O cocatalyzed aerobic dehydrogenative reactions of ketones with benzylamines: facile synthesis of substituted imidazoles. Organic letters, 2012, 14, 6068-6071
1516100	CIF	C22 H18 N2	P 1 21/n 1	9.768; 11.392; 15.15 90; 97.216; 90	1672.5	Cai, Zhong-Jian; Wang, Shun-Yi; Ji, Shun-Jun CuI/BF3·Et2O cocatalyzed aerobic dehydrogenative reactions of ketones with benzylamines: facile synthesis of substituted imidazoles. Organic letters, 2012, 14, 6068-6071
1516101	CIF	C20 H18 O5	P 1 21/n 1	16.4332; 5.5136; 18.3321 90; 106.549; 90	1592.2	Truong, Phong; Shanahan, Charles S.; Doyle, Michael P. Divergent stereocontrol of acid catalyzed intramolecular aldol reactions of 2,3,7-triketoesters: synthesis of highly functionalized cyclopentanones. Organic letters, 2012, 14, 3608-3611
1516103	CIF	C18 H24 N2 O	P b c n	18.945; 8.6958; 20.3655 90; 90; 90	3355.1	Zhao, Shu-Bin; Bilodeau, Eric; Lemieux, Valérie; Beauchemin, André M Hydrogen bonding directed intermolecular Cope-type hydroamination of alkenes. Organic letters, 2012, 14, 5082-5085
1516104	CIF	C30 H28 Cl N O4 S	P -1	10.0293; 16.6704; 17.4029 70.567; 76.603; 78.855	2647.7	Hu, Jian; Tian, Bing; Wu, Xinyan; Tong, Xiaofeng Tertiary amine-triggered cascade S(N)2/cycloaddition: an efficient construction of complex azaheterocycles under mild conditions. Organic letters, 2012, 14, 5074-5077
1516105	CIF	C22 H26 N2 O6	P 1 21/n 1	11.618; 12.024; 16.15 90; 110.574; 90	2112.2	Villa, Reymundo A.; Xu, Qihai; Kwon, Ohyun Total synthesis of (±)-hirsutine: application of phosphine-catalyzed imine-allene [4 + 2] annulation. Organic letters, 2012, 14, 4634-4637
1516106	CIF	C13 H15 N O	C 1 2/c 1	14.0539; 11.358; 13.4342 90; 101.523; 90	2101.2	Li, Xiao-Jing; Qiao, Jin-Bao; Sun, Jian; Li, Xue-Qiang; Gu, Peiming Intramolecular Schmidt Reaction of Acyl Chlorides with Alkyl Azides: Capture of N-Acyliminium Ion Intermediates with Aromatic rings. Organic letters, 2014, 16, 2865-2867
1516107	CIF	C19 H33 N O5 S Si	P -1	11.8101; 12.7217; 16.841 72.829; 75.377; 75.493	2296.4	Adams, Christopher S.; Grigg, R. David; Schomaker, Jennifer M. Complete stereodivergence in the synthesis of 2-amino-1,3-diols from allenes Chemical Science, 2014, 5, 3046
1516108	CIF	C20 H31 N O6 S Si	P -1	7.248; 12.231; 12.439 87.85; 81.98; 89.975	1091.2	Adams, Christopher S.; Grigg, R. David; Schomaker, Jennifer M. Complete stereodivergence in the synthesis of 2-amino-1,3-diols from allenes Chemical Science, 2014, 5, 3046
1516109	CIF	C20 H31 N O6 S Si	P 1 21/n 1	6.9812; 22.209; 14.9476 90; 96.282; 90	2303.6	Adams, Christopher S.; Grigg, R. David; Schomaker, Jennifer M. Complete stereodivergence in the synthesis of 2-amino-1,3-diols from allenes Chemical Science, 2014, 5, 3046
1516110	CIF	Cr O2	P 42/m n m	4.41; 4.41; 2.91 90; 90; 90	56.594	Glemser, O.; Hauschild, U.; Truepel, F. Ueber Chromoxyde zwischen Cr2 O3 und Cr O3 Zeitschrift fuer Anorganische und Allgemeine Chemie, 1954, 277, 113-208
1516111	CIF	C46 H48 N2 O Zr	P -1	11.0188; 13.6909; 15.087 64.169; 68.942; 75.522	1899.9	Klet, Rachel C.; Theriault, Curt N.; Klosin, Jerzy; Labinger, Jay A.; Bercaw, John E. Investigations into Asymmetric Post-Metallocene Group 4 Complexes for the Synthesis of Highly Regioirregular Polypropylene Macromolecules, 2014, 47, 3317
1516112	CIF	C36.83 H46.32 Cl2.34 N2 O Ti	P -1	10.387; 15.918; 21.74 76.406; 79.036; 87.948	3429.9	Klet, Rachel C.; Theriault, Curt N.; Klosin, Jerzy; Labinger, Jay A.; Bercaw, John E. Investigations into Asymmetric Post-Metallocene Group 4 Complexes for the Synthesis of Highly Regioirregular Polypropylene Macromolecules, 2014, 47, 3317
1516113	CIF	C11 H12 F N O2	P 1 21/n 1	11.272; 5.8049; 16.158 90; 108.477; 90	1002.8	Lu, Deng-Fu; Liu, Guan-Sai; Zhu, Cheng-Liang; Yuan, Bo; Xu, Hao Iron(II)-Catalyzed Intramolecular Olefin Aminofluorination. Organic letters, 2014, 16, 2912-2915
1516114	CIF	C72 H23 N O8	P -1	10.128; 10.497; 20.664 85.27; 77.477; 78.869	2102.4	Hashikawa, Yoshifumi; Murata, Michihisa; Wakamiya, Atsushi; Murata, Yasujiro Synthesis of open-cage ketolactam derivatives of fullerene c60 encapsulating a hydrogen molecule. Organic letters, 2014, 16, 2970-2973
1516115	CIF	C23 H28 N2 O3	P 1 21 1	8.5089; 9.1505; 12.5241 90; 96.049; 90	969.71	Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative. Journal of natural products, 2014, 77, 1532-1535
1516116	CIF	C24 H32 N2 O4	P n a 21	8.6828; 21.4082; 11.2277 90; 90; 90	2087.04	Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative. Journal of natural products, 2014, 77, 1532-1535
1516117	CIF	C23 H28 N2 O3	P 1 21 1	8.4914; 9.1548; 12.4788 90; 95.838; 90	965	Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative. Journal of natural products, 2014, 77, 1532-1535
1516118	CIF	C23 H28 N2 O3	C 1 2/c 1	39.082; 8.588; 24.128 90; 105.802; 90	7792.2	Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative. Journal of natural products, 2014, 77, 1532-1535
1516119	CIF	C23 H28 N2 O3	P 1 21 1	8.5096; 9.1538; 12.5333 90; 96.03; 90	970.882	Low, Yun-Yee; Gan, Chew-Yan; Kam, Toh-Seok Andransinine: an unusual case of spontaneous resolution in an indole alkaloid derivative. Journal of natural products, 2014, 77, 1532-1535
1516120	CIF	B H6 N2 Na	P 1 21/c 1	4.97456; 7.9607; 10.2456 90; 115.166; 90	367.22	Chua, Yong Shen; Pei, Qijun; Ju, Xiaohua; Zhou, Wei; Udovic, Terrence J.; Wu, Guotao; Xiong, Zhitao; Chen, Ping; Wu, Hui Alkali Metal Hydride Modification on Hydrazine Borane for Improved Dehydrogenation The Journal of Physical Chemistry C, 2014, 118, 11244
1516121	CIF	C15 H11 N O3	P -1	5.502; 21.052; 21.138 88.513; 82.982; 85.62	2423	Wu, Xia; Gao, Qinghe; Liu, Shan; Wu, Anxin I2-Catalyzed Oxidative Cross-Coupling of Methyl Ketones and Benzamidines Hydrochloride: A Facile Access to α-Ketoimides. Organic letters, 2014, 16, 2888-2891
1516122	CIF	C58 H36 O4	P -1	12.469; 14.085; 14.436 114.938; 101.497; 98.755	2171.7	Wackerly, Jay Wm; Zhang, Mengfei; Nodder, Stephen T.; Carlin, Stephen M.; Katz, Jeffrey L. Single Step Synthesis of Acetylene-Substituted Oxacalix[4]arenes. Organic letters, 2014, 16, 2920-2922
1516123	CIF	C21 H20 F3 N O2	P -1	6.186; 9.6029; 16.4251 77.495; 80.955; 87.557	940.68	Guo, Chun-Xiao; Zhang, Wen-Zhen; Liu, Si; Lu, Xiao-Bing Cu(i)-catalyzed chemical fixation of CO2 with 2-alkynylaniline into 4-hydroxyquinolin-2(1H)-one Catalysis Science & Technology, 2014, 4, 1570
1516124	CIF	C21 H23 N O2	P -1	7.7051; 10.8189; 11.1726 75.918; 86.59; 87.802	901.49	Guo, Chun-Xiao; Zhang, Wen-Zhen; Liu, Si; Lu, Xiao-Bing Cu(i)-catalyzed chemical fixation of CO2 with 2-alkynylaniline into 4-hydroxyquinolin-2(1H)-one Catalysis Science & Technology, 2014, 4, 1570
1516125	CIF	C31 H39 N5 O8 S2 Zn	P 1 21/c 1	21.5392; 14.9764; 11.0367 90; 102.006; 90	3482.3	Martín, C.; Whiteoak, C. J.; Martin, E.; Martínez Belmonte, M.; Escudero-Adán, E. C.; Kleij, A. W. Easily accessible bifunctional Zn(salpyr) catalysts for the formation of organic carbonates Catalysis Science & Technology, 2014, 4, 1615
1516126	CIF	C30 H40 I N3 O4 Zn	P 1 21/c 1	20.7881; 19.8405; 7.4304 90; 97.665; 90	3037.3	Martín, C.; Whiteoak, C. J.; Martin, E.; Martínez Belmonte, M.; Escudero-Adán, E. C.; Kleij, A. W. Easily accessible bifunctional Zn(salpyr) catalysts for the formation of organic carbonates Catalysis Science & Technology, 2014, 4, 1615
1516127	CIF	C46 H64 Cl6 N6 O7 Zn	P -1	11.5808; 12.8843; 18.9944 78.363; 87.683; 87.378	2771.6	Martín, C.; Whiteoak, C. J.; Martin, E.; Martínez Belmonte, M.; Escudero-Adán, E. C.; Kleij, A. W. Easily accessible bifunctional Zn(salpyr) catalysts for the formation of organic carbonates Catalysis Science & Technology, 2014, 4, 1615
1516128	CIF	C92 H126 Cl3 Cr2 Li N2 O5	P 31 2 1	18.945; 18.945; 25.39 90; 90; 120	7892	Chen, Hua; Dawe, Louise N.; Kozak, Christopher M. Chromium(iii) amine-bis(phenolate) complexes as catalysts for copolymerization of cyclohexene oxide and CO2 Catalysis Science & Technology, 2014, 4, 1547
1516129	CIF	C37 H34 N2 O6 S2	P 1 21/c 1	17.511; 10.814; 23.711 90; 130.536; 90	3412.4	Nayak, Sanatan; Ghosh, Nayan; Sahoo, Akhila K. Access to Cyclobutene-Fused Azepines through Au-Catalyzed Cycloisomerization of Stable Alkyne Tethered Ketene N,N-Acetals. Organic letters, 2014, 16, 2996-2999
1516130	CIF	C39 H32 N4 O6 S2	A b a 2	15.0516; 28.646; 18.0316 90; 90; 90	7774.7	Nayak, Sanatan; Ghosh, Nayan; Sahoo, Akhila K. Access to Cyclobutene-Fused Azepines through Au-Catalyzed Cycloisomerization of Stable Alkyne Tethered Ketene N,N-Acetals. Organic letters, 2014, 16, 2996-2999
1516131	CIF	C39 H38 N2 O8 S2	P -1	8.7849; 12.6893; 16.278 85.618; 79.626; 82.116	1765.6	Nayak, Sanatan; Ghosh, Nayan; Sahoo, Akhila K. Access to Cyclobutene-Fused Azepines through Au-Catalyzed Cycloisomerization of Stable Alkyne Tethered Ketene N,N-Acetals. Organic letters, 2014, 16, 2996-2999
1516132	CIF	C19 H14 Br N2 O0.5 S	C 1 2/c 1	11.406; 14.522; 20.97 90; 104.457; 90	3363.4	Ravi, Chitrakar; Chandra Mohan, Darapaneni; Adimurthy, Subbarayappa N-chlorosuccinimide-promoted regioselective sulfenylation of imidazoheterocycles at room temperature. Organic letters, 2014, 16, 2978-2981
1516133	CIF	C20 H4 Br4 Cl4	P c a 21	7.4442; 27.2175; 19.194 90; 90; 90	3888.9	Zagranyarski, Yulian; Chen, Long; Jänsch, Daniel; Gessner, Thomas; Li, Chen; Müllen, Klaus Toward perylene dyes by the hundsdiecker reaction. Organic letters, 2014, 16, 2814-2817
1516134	CIF	C19 H27 N O2 S Si	P 1 21 1	9.154; 16.606; 13.184 90; 91.919; 90	2003	Mita, Tsuyoshi; Sugawara, Masumi; Saito, Keisuke; Sato, Yoshihiro Catalytic Enantioselective Silylation of N-Sulfonylimines: Asymmetric Synthesis of α-Amino Acids from CO2 via Stereospecific Carboxylation of α-Amino Silanes. Organic letters, 2014, 16, 3028-3031
1516135	CIF	C14 H25 N O2 S Sn	P 1 21 1	11.1188; 10.5531; 15.6491 90; 110.738; 90	1717.26	Mita, Tsuyoshi; Sugawara, Masumi; Saito, Keisuke; Sato, Yoshihiro Catalytic Enantioselective Silylation of N-Sulfonylimines: Asymmetric Synthesis of α-Amino Acids from CO2 via Stereospecific Carboxylation of α-Amino Silanes. Organic letters, 2014, 16, 3028-3031
1516136	CIF	C78 H64 Cl2 O2 P4 Rh2	C 1 2/m 1	29.9133; 18.7802; 19.2461 90; 114.861; 90	9810.1	Meißner, Antje; Alberico, Elisabetta; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef Rhodium diphosphine complexes: a case study for catalyst activation and deactivation Catal. Sci. Technol., 2014, 4, 3409
1516137	CIF	C50 H47 Cl O2 P2 Rh	P -1	10.1367; 10.1518; 21.075 93.865; 102.017; 108.917	1985.2	Meißner, Antje; Alberico, Elisabetta; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef Rhodium diphosphine complexes: a case study for catalyst activation and deactivation Catal. Sci. Technol., 2014, 4, 3409
1516138	CIF	C20 H25 Cl F3 Ir N4 O3 S	P 1 21/n 1	8.92686; 16.30625; 16.1629 90; 99.0197; 90	2323.64	Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316
1516139	CIF	C26 H32 Cl F6 Ir N4 O0.5 P	P 1 21 1	8.6499; 30.9257; 11.9013 90; 95.343; 90	3169.82	Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316
1516140	CIF	C48 H47.38 B Cl Ir N4 O0.19	P b c a	16.815; 17.575; 28.6833 90; 90; 90	8476.59	Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316
1516141	CIF	C20 H25 Cl F3 Ir N4 O3 S	P -1	8.1397; 12.0802; 12.1711 93.308; 98.055; 96.258	1174.66	Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316
1516142	CIF	C24 H30 F6 Ir N5 O6 S2	P -1	9.9198; 12.2357; 14.1911 88.964; 72.328; 67.558	1507.5	Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316
1516143	CIF	C32 H38 F6 Ir N5 O7 S2	P 1 21/c 1	24.2752; 11.5628; 27.0877 90; 101.757; 90	7443.72	Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316
1516144	CIF	C28 H30 F6 Ir N5 O6 S2	P 1 21/n 1	15.4068; 12.8634; 17.5263 90; 103.099; 90	3383.05	Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316
1516145	CIF	C25 H27 Cl F3 Ir N4 O3 S	P 1 21/n 1	12.3897; 16.3148; 14.676 90; 114.395; 90	2701.69	Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316
1516146	CIF	C30 H35 F6 Ir N8 O6 S2	P 1 21/c 1	17.0427; 12.0904; 18.0154 90; 108.807; 90	3513.9	Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights Energy & Environmental Science, 2014, 7, 2316
1516147	CIF	C7 H9 Br O2	P 32	17.8119; 17.8119; 6.2589 90; 90; 120	1719.7	Zipfel, Hannes F.; Carreira, Erick M. An efficient synthesis strategy to the core structure of 6-5-6-5-6-membered epipolythiodiketopiperazines. Organic letters, 2014, 16, 2854-2857
1516148	CIF	C21 H24 N2 O4 S	P 1 21 1	11.639; 5.5765; 15.5447 90; 106.278; 90	968.48	Zipfel, Hannes F.; Carreira, Erick M. An efficient synthesis strategy to the core structure of 6-5-6-5-6-membered epipolythiodiketopiperazines. Organic letters, 2014, 16, 2854-2857
1516149	CIF	C32.5 H31 Cl N2 O6	C 1 2 1	43.265; 15.0547; 10.2366 90; 93.976; 90	6651.5	Zipfel, Hannes F.; Carreira, Erick M. An efficient synthesis strategy to the core structure of 6-5-6-5-6-membered epipolythiodiketopiperazines. Organic letters, 2014, 16, 2854-2857
1516150	CIF	C23 H24 O3 S	P 21 21 21	6.5465; 7.844; 38.945 90; 90; 90	1999.9	Ohmatsu, Kohsuke; Hara, Yoshiyuki; Ooi, Takashi In situ generation of ion-paired chiral ligands: rapid identification of the optimal ligand for palladium-catalyzed asymmetric allylation Chemical Science, 2014, 5, 3645
1516151	CIF	C46 H46 Mg O4	C 1 2/c 1	19.0981; 9.6221; 22.024 90; 109.389; 90	3817.7	Wang, Yang; Liu, Bo; Wang, Xue; Zhao, Wei; Liu, Dongtao; Liu, Xinli; Cui, Dongmei Immortal ring-opening polymerization of ε-caprolactone by a neat magnesium catalyst system: an approach to obtain block and amphiphilic star polymers in situ Polymer Chemistry, 2014, 5, 4580
1516152	CIF	C16 H13 Br O3	P 1 21 1	7.952; 12.184; 14.721 90; 92.596; 90	1424.8	Fu, Liangbing; Wang, Hengbin; Davies, Huw M. L. Role of Ortho-Substituents on Rhodium-Catalyzed Asymmetric Synthesis of β-Lactones by Intramolecular C-H Insertions of Aryldiazoacetates. Organic letters, 2014, 16, 3036-3039
1516153	CIF	C11 H11 Br O3	P 21 21 21	12.06; 12.066; 14.641 90; 90; 90	2130.5	Fu, Liangbing; Wang, Hengbin; Davies, Huw M. L. Role of Ortho-Substituents on Rhodium-Catalyzed Asymmetric Synthesis of β-Lactones by Intramolecular C-H Insertions of Aryldiazoacetates. Organic letters, 2014, 16, 3036-3039
1516154	CIF	C10 H9 Br O3	P 1 21 1	6.2085; 5.3383; 15.239 90; 95.715; 90	502.6	Fu, Liangbing; Wang, Hengbin; Davies, Huw M. L. Role of Ortho-Substituents on Rhodium-Catalyzed Asymmetric Synthesis of β-Lactones by Intramolecular C-H Insertions of Aryldiazoacetates. Organic letters, 2014, 16, 3036-3039
1516155	CIF	C24 H46 Al4 N2 O2	P -1	7.361; 10.0951; 10.6561 103.037; 95.097; 96.205	761.67	Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide) Catalysis Science & Technology, 2014, 4, 3025
1516156	CIF	C22 H38 Al4 N2 O2	P 1 21/n 1	8.751; 15.3173; 10.1026 90; 90.1329; 90	1354.17	Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide) Catalysis Science & Technology, 2014, 4, 3025
1516157	CIF	C31 H54 Al4 N2 O2	P 1 21/n 1	7.1092; 21.245; 12.33 90; 92.839; 90	1859.98	Li, Yuanzhuo; Zhao, Ke-Qing; Elsegood, Mark R. J.; Prior, Timothy J.; Sun, Xinsen; Mo, Shanyan; Redshaw, Carl Organoaluminium complexes of ortho-, meta-, para-anisidines: synthesis, structural studies and ROP of ε-caprolactone (and rac-lactide) Catalysis Science & Technology, 2014, 4, 3025
1516158	CIF	C24 H10 Br2 F8 N4	C 1 2/c 1	28.893; 5.2362; 17.648 90; 118.696; 90	2342	Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158
1516159	CIF	C22 H8 Br2 F8 N6	C 1 2/c 1	36.953; 5.2778; 11.5441 90; 90.529; 90	2251.4	Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158
1516160	CIF	C24 H10 F8 I2 N4	C 1 2/c 1	29.154; 5.2244; 18.283 90; 120.726; 90	2393.8	Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158
1516161	CIF	C22 H8 F8 I2 N6	C 1 2/c 1	28.722; 5.1901; 18.22 90; 120.623; 90	2337.3	Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158
1516162	CIF	C24 H10 F8 I2 N4	C 1 2/c 1	40.225; 5.8436; 25.726 90; 123.647; 90	5034	Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158
1516163	CIF	C24 H10 Br2 F8 N4	P -1	6.0828; 8.3133; 12.157 70.137; 84.722; 79.999	569.04	Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158
1516164	CIF	C22 H8 Br2 F8 N6	P -1	5.9081; 8.3193; 23.198 94.956; 93.481; 95.848	1127.25	Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158
1516165	CIF	C24 H10 F8 I2 N4	P -1	5.8317; 8.5364; 23.47 95.753; 96.748; 95.828	1146.8	Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158
1516166	CIF	C22 H8 F8 I2 N6	P -1	5.8475; 8.445; 23.132 94.99; 95.779; 96.339	1124	Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158
1516167	CIF	C24 H10 F8 I2 N4	C 1 2/c 1	11.097; 8.2444; 26.821 90; 91.457; 90	2453	Bushuyev, Oleksandr S.; Corkery, T. Christopher; Barrett, Christopher J.; Friščić, Tomislav Photo-mechanical azobenzene cocrystals and in situ X-ray diffraction monitoring of their optically-induced crystal-to-crystal isomerisation Chemical Science, 2014, 5, 3158
1516168	CIF	C12 H14 N2 O5	P 1 21/n 1	18.385; 5.62; 12.034 90; 96.57; 90	1235.2	Amit, A.; Mester, L.; Klewe, B.; Furberg, S. The Crystal Structure of Serotonin Hydrogen Oxalate Acta Chemica Scandinavica A, 1978, 267-270
1516169	CIF	C10 H8 B2 F4 N4	C 1 2/m 1	12.2662; 6.8136; 7.0499 90; 105.816; 90	566.9	Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole. Organic letters, 2014, 16, 3048-3051
1516170	CIF	C14 H16 B2 F4 N4	P 1 21/c 1	9.2147; 12.1024; 7.3238 90; 108.772; 90	773.3	Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole. Organic letters, 2014, 16, 3048-3051
1516171	CIF	C18 H24 B2 F4 N4	P 1 21/n 1	9.676; 13.659; 15.313 90; 103.66; 90	1966.6	Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole. Organic letters, 2014, 16, 3048-3051
1516172	CIF	C10 H9 B F2 N4	P b c a	12.306; 9.48; 18.766 90; 90; 90	2189.3	Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole. Organic letters, 2014, 16, 3048-3051
1516173	CIF	C14 H17 B F2 N4	P 1 21/c 1	8.058; 21.225; 8.7995 90; 102.217; 90	1470.9	Yu, Changjiang; Jiao, Lijuan; Zhang, Ping; Feng, Zeya; Cheng, Chi; Wei, Yun; Mu, Xiaolong; Hao, Erhong Highly Fluorescent BF2 Complexes of Hydrazine-Schiff Base Linked Bispyrrole. Organic letters, 2014, 16, 3048-3051
1516174	CIF	C26 H22 F6 N4 O4	C 1 2/c 1	29.895; 12.375; 15.464 90; 107.104; 90	5468	Zhang, Fa-Guang; Wei, Yi; Yi, Yu-Ping; Nie, Jing; Ma, Jun-An Regioselective Cycloaddition of Trifluorodiazoethane with Electron-Deficient Allenic Esters and Ketones: Access to CF3-Substituted Pyrazolines and Pyrazoles. Organic letters, 2014, 16, 3122-3125
1516175	CIF	C15 H18 N2 O3	P 1 21/n 1	9.4197; 8.3092; 17.992 90; 98.7; 90	1392	Cai, Shangjun; Chen, Chao; Shao, Peng; Xi, Chanjuan Rh(III)-Catalyzed Cascade Oxidative Olefination/Cyclization of Picolinamides and Alkenes via C-H Activation. Organic letters, 2014, 16, 3142-3145
1516176	CIF	C14 H16 N2 O3	P 1 21/c 1	7.5875; 21.568; 8.3245 90; 110.26; 90	1278	Cai, Shangjun; Chen, Chao; Shao, Peng; Xi, Chanjuan Rh(III)-Catalyzed Cascade Oxidative Olefination/Cyclization of Picolinamides and Alkenes via C-H Activation. Organic letters, 2014, 16, 3142-3145
1516177	CIF	C6 Cl4 O2	P 1 21/n 1	26.01; 8.1572; 28.795 90; 113.518; 90	5601.9	Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924
1516178	CIF	C6 Cl4 O2	P 1 21/c 1	6.0592; 16.3472; 8.1183 90; 94.249; 90	801.92	Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924
1516179	CIF	C16 H14 Cl4 O2	P 1 21/n 1	9.1022; 13.8161; 13.3595 90; 100.202; 90	1653.49	Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924
1516180	CIF	C60 H30 Cl8 O4	P 1 c 1	8.3157; 38.967; 14.2436 90; 91.718; 90	4613.4	Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924
1516181	CIF	C13 H6 Cl6 O2 S4	P 1 21/c 1	17; 13.405; 17.205 90; 97.907; 90	3883	Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924
1516182	CIF	C12 H4 Cl4 O2 S4	P 1 21/n 1	7.17; 16.961; 12.731 90; 97.176; 90	1536.1	Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924
1516183	CIF	C35 H80 B11 O4 S4	P -1	10.587; 11.677; 12.74 63.152; 67.095; 68.555	1259.4	Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924
1516184	CIF	C19 H40 B11 S4	P 1 21/n 1	9.1393; 13.3909; 12.5744 90; 109.609; 90	1449.6	Rosokha, S. V.; Dibrov, S. M.; Rosokha, T. Y.; Kochi, J. K. Electronic structures of intermolecular charge-transfer states in fast electron transfers with tetrathiafulvalene donor. Thermal and photoactivation of [2 + 4] cycloaddition to o-chloranil acceptor. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 914-924
1516185	CIF	C23 H22 O5	P -1	12.4283; 12.4686; 12.8462 85.951; 88.997; 78.875	1948.4	Choe, Tina; Khan, Saeed I.; Garcia-Garibay, Miguel A Combination vs. disproportionation in dialkyl biradicals. Selectivity reversal in a crystalline solid. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 449-451
1516186	CIF	C22 H22 O4	C 1 2/c 1	25.049; 11.3809; 14.7771 90; 117.603; 90	3733.2	Choe, Tina; Khan, Saeed I.; Garcia-Garibay, Miguel A Combination vs. disproportionation in dialkyl biradicals. Selectivity reversal in a crystalline solid. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 449-451
1516187	CIF	C22 H22 O4	P 1 21/c 1	14.8162; 14.8987; 8.3482 90; 90.134; 90	1842.8	Choe, Tina; Khan, Saeed I.; Garcia-Garibay, Miguel A Combination vs. disproportionation in dialkyl biradicals. Selectivity reversal in a crystalline solid. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2006, 5, 449-451
1516188	CIF	C18 H17 O6	P 21 21 2	5.4674; 29.89; 4.4627 90; 90; 90	729.3	La Clair, James J.; Rheingold, Arnold L.; Burkart, Michael D. Ganodone, a bioactive benzofuran from the fruiting bodies of Ganoderma tsugae. Journal of natural products, 2011, 74, 2045-2051
1516189	CIF	C7 H5 F O2	P 1 21/n 1	3.816; 6.3759; 26.571 90; 94.353; 90	644.6	Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863
1516190	CIF	C13 H11 F N2 O3	C 1 2/c 1	22.913; 5.2046; 20.0132 90; 100.212; 90	2348.8	Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863
1516191	CIF	C7 H5 F O2	P 1 21/n 1	3.7812; 6.3418; 26.539 90; 94.11; 90	634.8	Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863
1516192	CIF	C13 H10 F N2 O3	P -1	7.0275; 7.4474; 12.6005 74.371; 87.185; 70.004	596.12	Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863
1516193	CIF	C7 H5 F O2	P 1 21/n 1	6.5525; 3.7524; 25.021 90; 92.82; 90	614.5	Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863
1516194	CIF	C7 H5 F O2	P 1 21/c 1	3.7041; 6.2642; 26.6604 90; 92.96; 90	617.78	Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863
1516195	CIF	C7 H5 F O2	P 1 21/c 1	3.7411; 6.305; 26.564 90; 93.54; 90	625.4	Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863
1516196	CIF	C7 H5 F O2	P 1 21/c 1	3.7637; 6.3314; 26.607 90; 93.76; 90	632.7	Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863
1516197	CIF	C7 H5 F O2	P 1 21/n 1	6.7465; 3.7192; 24.285 90; 92.91; 90	608.6	Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863
1516198	CIF	C13 H11 F N2 O3	C 1 2/c 1	22.046; 5.2078; 20.995 90; 95.888; 90	2397.7	Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R. Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions. The journal of physical chemistry. A, 2011, 115, 12852-12863
1516199	CIF	C3 Cl N	P 4/n m m :2	6.27205; 6.27205; 7.41472 90; 90; 90	291.685	Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815
1516200	CIF	C3 Cl N	P 4/n m m :2	6.26158; 6.26158; 7.40222 90; 90; 90	290.222	Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815
1516201	CIF	C3 Cl N	P 4/n m m :2	6.28481; 6.28481; 7.43083 90; 90; 90	293.509	Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815
1516202	CIF	C3 Cl N	P 4/n m m :2	6.24761; 6.24761; 7.38691 90; 90; 90	288.331	Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815
1516203	CIF	C3 Cl N	P 4/n m m :2	6.27406; 6.27406; 7.41752 90; 90; 90	291.982	Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815
1516204	CIF	C3 Cl N	P 4/n m m :2	6.24356; 6.24356; 7.38323 90; 90; 90	287.813	Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815
1516205	CIF	C3 Cl N	P 4/n m m :2	6.25716; 6.25716; 7.39742 90; 90; 90	289.624	Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815
1516206	CIF	C3 Cl N	P 4/n m m :2	6.26687; 6.26687; 7.40789 90; 90; 90	290.935	Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815
1516207	CIF	C3 Cl N	P 4/n m m :2	6.27959; 6.27959; 7.42355 90; 90; 90	292.735	Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815
1516208	CIF	C3 Cl N	P 4/n m m :2	6.25958; 6.25958; 7.39974 90; 90; 90	289.939	Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815
1516209	CIF	C3 Cl N	P 4/n m m :2	6.28727; 6.28727; 7.43434 90; 90; 90	293.878	Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815
1516210	CIF	C3 Cl N	P 4/n m m :2	6.27704; 6.27704; 7.42097 90; 90; 90	292.395	Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815
1516211	CIF	C3 Cl N	P 4/n m m :2	6.25021; 6.25021; 7.38992 90; 90; 90	288.688	Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815
1516212	CIF	C3 Cl N	P 4/n m m :2	6.25254; 6.25254; 7.39233 90; 90; 90	288.998	Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815
1516213	CIF	C3 Cl N	P 4/n m m :2	6.26923; 6.26923; 7.41088 90; 90; 90	291.272	Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815
1516214	CIF	C3 Cl N	P 4/n m m :2	6.28957; 6.28957; 7.43727 90; 90; 90	294.209	Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815
1516215	CIF	C3 Cl N	P 4/n m m :2	6.2548; 6.2548; 7.39492 90; 90; 90	289.308	Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815
1516216	CIF	C3 Cl N	P 4/n m m :2	6.2824; 6.2824; 7.42752 90; 90; 90	293.153	Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815
1516217	CIF	C3 Cl N	P 4/n m m :2	6.24506; 6.24506; 7.38479 90; 90; 90	288.013	Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815
1516218	CIF	C3 Cl N	P 4/n m m :2	6.26428; 6.26428; 7.40545 90; 90; 90	290.599	Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B, 2011, 115, 11805-11815
1516232	CIF	C82.5 H44 F15 N O	P -1	14.729; 15.302; 17.015 110.482; 91.5392; 117.76	3094.5	Chou, Chih-Ming; Saito, Shohei; Yamaguchi, Shigehiro Heterotriangulenes π-Expanded at Bridging Positions. Organic letters, 2014, 16, 2868-2871
1516233	CIF	C122.4 H59 Cl3.4 F15 N	P -1	26.3661; 26.5069; 39.8191 100.01; 99.1855; 99.1177	26552.9	Chou, Chih-Ming; Saito, Shohei; Yamaguchi, Shigehiro Heterotriangulenes π-Expanded at Bridging Positions. Organic letters, 2014, 16, 2868-2871
1516234	CIF	C78 H32 F15 N	C 1 2/c 1	25.7374; 16.733; 30.152 90; 114.227; 90	11841.7	Chou, Chih-Ming; Saito, Shohei; Yamaguchi, Shigehiro Heterotriangulenes π-Expanded at Bridging Positions. Organic letters, 2014, 16, 2868-2871
1516235	CIF	C13 H16 O6	P b c a	11.5879; 11.617; 19.7761 90; 90; 90	2662.19	Rout, Saroj Kumar; Guin, Srimanta; Ali, Wajid; Gogoi, Anupal; Patel, Bhisma K. Copper-Catalyzed Esterification of Alkylbenzenes with Cyclic Ethers and Cycloalkanes via C(sp(3))-H Activation Following Cross-Dehydrogenative Coupling. Organic letters, 2014, 16, 3086-3089
1516236	CIF	C49 H36 O5	P 1 2/n 1	9.772; 12.0351; 17.3162 90; 93.947; 90	2031.68	Nandakumar, Meganathan; Karunakaran, Jayachandran; Mohanakrishnan, Arasambattu K. Diels-Alder Reaction of 1,3-Diarylbenzo[c]furans with Thiophene S,S-Dioxide/Indenone Derivatives: A Facile Preparation of Substituted Dibenzothiophene S,S-Dioxides and Fluorenones. Organic letters, 2014, 16, 3068-3071
1516237	CIF	C34 H24 O4 S	P -1	13.7369; 13.8077; 16.4824 78.442; 68.211; 80.216	2828.35	Nandakumar, Meganathan; Karunakaran, Jayachandran; Mohanakrishnan, Arasambattu K. Diels-Alder Reaction of 1,3-Diarylbenzo[c]furans with Thiophene S,S-Dioxide/Indenone Derivatives: A Facile Preparation of Substituted Dibenzothiophene S,S-Dioxides and Fluorenones. Organic letters, 2014, 16, 3068-3071
1516238	CIF	C28 H18 O2 S	P 1 21/n 1	9.9374; 16.1534; 13.053 90; 100.308; 90	2061.49	Nandakumar, Meganathan; Karunakaran, Jayachandran; Mohanakrishnan, Arasambattu K. Diels-Alder Reaction of 1,3-Diarylbenzo[c]furans with Thiophene S,S-Dioxide/Indenone Derivatives: A Facile Preparation of Substituted Dibenzothiophene S,S-Dioxides and Fluorenones. Organic letters, 2014, 16, 3068-3071
1516239	CIF	C13 H11 F3 O2	P -1	7.6763; 10.0446; 15.7356 81.3; 82.163; 86.148	1186.79	Kohn, Benjamin L.; Rovis, Tomislav Cobaltate anion couples terminal dienes with trifluoroacetic anhydride: a direct fluoroacylation of 1,3-dienes Chemical Science, 2014, 5, 2889
1516240	CIF	C20 H16 O3	P 1 21/c 1	14.24; 6.321; 36.476 90; 98.915; 90	3243.6	Yang, Shu-Wen; Elangovan, Arumugasamy; Ho, Tong-Ing Donor-substituted phenyl-pi-chromones: electrochemiluminescence and intriguing electronic properties. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 327-332
1516241	CIF	C34 H32 B2 Cl4 N13 O3 Pr	P 1 21/n 1	10.414; 21.894; 17.805 90; 99.73; 90	4001.2	Davies, Graham M.; Adams, Harry; Pope, Simon J. A.; Faulkner, Stephen; Ward, Michael D. Photophysical properties of Pr(III) and Er(III) complexes of poly(pyrazolyl)borates. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 829-834
1516242	CIF	C34 H32 B2 Cl4 Er N13 O3	P 1 21/n 1	10.8892; 20.125; 18.381 90; 105.919; 90	3873.6	Davies, Graham M.; Adams, Harry; Pope, Simon J. A.; Faulkner, Stephen; Ward, Michael D. Photophysical properties of Pr(III) and Er(III) complexes of poly(pyrazolyl)borates. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 829-834
1516243	CIF	C22 H24 Si	C 1 2/c 1	15.986; 12.999; 18.745 90; 107.35; 90	3718	Zarkadis, Antonios K.; Georgakilas, Vassilios; Perdikomatis, Gerasimos P.; Trifonov, Anton; Gurzadyan, Gagik G.; Skoulika, Stavroula; Siskos, Michael G. Triplet- vs. singlet-state imposed photochemistry. The role of substituent effects on the photo-Fries and photodissociation reaction of triphenylmethyl silanes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 469-480
1516244	CIF	C29 H28 O Si	P n a 21	17.088; 10.053; 13.654 90; 90; 90	2345.6	Zarkadis, Antonios K.; Georgakilas, Vassilios; Perdikomatis, Gerasimos P.; Trifonov, Anton; Gurzadyan, Gagik G.; Skoulika, Stavroula; Siskos, Michael G. Triplet- vs. singlet-state imposed photochemistry. The role of substituent effects on the photo-Fries and photodissociation reaction of triphenylmethyl silanes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 469-480
1516245	CIF	C20 H18 N4 O2	P 1 21/c 1	7.173; 10.269; 22.512 90; 90.57; 90	1658.14	Insińska-Rak, Malgorzata; Sikorska, Ewa; Herance, Jose R.; Bourdelande, Jose L.; Khmelinskii, Igor V.; Kubicki, Maciej; Prukała, Wiesław; Machado, Isabel F.; Komasa, Anna; Ferreira, Luis F. V.; Sikorski, Marek Spectroscopy and photophysics of flavin-related compounds: 3-benzyl-lumiflavin. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 463-468
1516246	CIF	C19 H24 N2 O2	P 1 21/n 1	17.287; 12.249; 17.804 90; 103.09; 90	3672	Lohmeyer, Britta; Margaretha, Paul Photocycloaddition of cyclohex-2-enones to alkylidenemalononitriles (1,1-dicyanoalkenes). Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 637-640
1516247	CIF	C14 H18 N2 O	P 1 21/c 1	18.7448; 6.7681; 22.9068 90; 111.483; 90	2704.2	Lohmeyer, Britta; Margaretha, Paul Photocycloaddition of cyclohex-2-enones to alkylidenemalononitriles (1,1-dicyanoalkenes). Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 637-640
1516248	CIF	C39 H59 Au2 Br O2 P2	P 1 2/a 1	17.211; 12.442; 22.955 90; 105.75; 90	4731	Wing-Wah Yam, Vivian; Cheung, Kai-Leung; Yip, Sung-Kong; Zhu, Nianyong Synthesis, characterisation, electrochemistry and luminescence studies of 9-anthrylgold(I) complexes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 149-153
1516249	CIF	C54 H42 Au2 Cl2 P2	P 1 21/n 1	12.258; 16.047; 23.166 90; 98.75; 90	4503.8	Wing-Wah Yam, Vivian; Cheung, Kai-Leung; Yip, Sung-Kong; Zhu, Nianyong Synthesis, characterisation, electrochemistry and luminescence studies of 9-anthrylgold(I) complexes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2005, 4, 149-153
1516250	CIF	C156 H240 Mn6 N3 O33 Tb	P 1 21/n 1	19.483; 26.625; 38.568 90; 92.761; 90	19983	Ledezma-Gairaud, M; Grangel, L.; Aromí, G; Fujisawa, T.; Yamaguchi, A.; Sumiyama, A.; Sañudo, E C From serendipitous assembly to controlled synthesis of 3d-4f single-molecule magnets. Inorganic chemistry, 2014, 53, 5878-5880
1516251	CIF	C159 H244 La Mn6 N4 O34	P 1 21/n 1	27.1673; 19.6773; 32.4879 90; 105.531; 90	16733.2	Ledezma-Gairaud, M; Grangel, L.; Aromí, G; Fujisawa, T.; Yamaguchi, A.; Sumiyama, A.; Sañudo, E C From serendipitous assembly to controlled synthesis of 3d-4f single-molecule magnets. Inorganic chemistry, 2014, 53, 5878-5880
1516252	CIF	C156 H240 Gd Mn6 N3 O33	P 1 21/n 1	19.481; 26.582; 38.691 90; 92.731; 90	20013	Ledezma-Gairaud, M; Grangel, L.; Aromí, G; Fujisawa, T.; Yamaguchi, A.; Sumiyama, A.; Sañudo, E C From serendipitous assembly to controlled synthesis of 3d-4f single-molecule magnets. Inorganic chemistry, 2014, 53, 5878-5880
1516253	CIF	C6 H3 F N3 S4	P 1 21/c 1	4.789; 12.683; 16.599 90; 71.26; 90	954.8	Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T. Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers. Journal of the American Chemical Society, 2014, 136, 8050
1516254	CIF	C6 H3 F N3 S4	P 1 21/n 1	17.301; 4.0582; 26.249 90; 92.074; 90	1841.8	Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T. Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers. Journal of the American Chemical Society, 2014, 136, 8050
1516255	CIF	C12 H6 F2 N6 S8	P 1 21/c 1	4.6011; 12.7317; 15.9122 90; 78.949; 90	914.8	Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T. Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers. Journal of the American Chemical Society, 2014, 136, 8050
1516256	CIF	C12 H6 F2 N6 S8	P 1 21/c 1	4.12168; 13.2722; 14.8586 90; 84.318; 90	808.83	Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T. Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers. Journal of the American Chemical Society, 2014, 136, 8050
1516257	CIF	C6 H3 F N3 S4	P 1 21/c 1	4.789; 12.683; 16.281 90; 74.89; 90	954.7	Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T. Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers. Journal of the American Chemical Society, 2014, 136, 8050
1516258	CIF	C12 H6 F2 N6 S8	P 1 21/c 1	3.86543; 13.4994; 14.4694 90; 86.261; 90	753.42	Lekin, Kristina; Phan, Hoa; Winter, Stephen M.; Wong, Joanne W. L.; Leitch, Alicea A.; Laniel, Dominique; Yong, Wenjun; Secco, Richard A.; Tse, John S.; Desgreniers, Serge; Dube, Paul A.; Shatruk, Michael; Oakley, Richard T. Heat, Pressure and Light-Induced Interconversion of Bisdithiazolyl Radicals and Dimers. Journal of the American Chemical Society, 2014, 136, 8050
1516259	CIF	C34 H38 Si2 Sn	C 1 2/c 1	20.3517; 11.4308; 14.8442 90; 116.774; 90	3083.1	Kuwabara, Takuya; Guo, Jing-Dong; Nagase, Shigeru; Minoura, Mao; Herber, Rolfe H.; Saito, Masaichi Enhancement of Stannylene Character in Stannole Dianion Equivalents Evidenced by NMR and Mössbauer Spectroscopy and Theoretical Studies of Newly Synthesized Silyl-Substituted Dilithiostannoles Organometallics, 2014, 33, 2910
1516260	CIF	C37 H52 Li2 O2 Si2 Sn	P 21 21 21	8.4097; 13.856; 32.621 90; 90; 90	3801.2	Kuwabara, Takuya; Guo, Jing-Dong; Nagase, Shigeru; Minoura, Mao; Herber, Rolfe H.; Saito, Masaichi Enhancement of Stannylene Character in Stannole Dianion Equivalents Evidenced by NMR and Mössbauer Spectroscopy and Theoretical Studies of Newly Synthesized Silyl-Substituted Dilithiostannoles Organometallics, 2014, 33, 2910
1516261	CIF	C36 H56 Li2 O2 Si2 Sn	P -1	12.3909; 12.4427; 13.724 83.022; 67.354; 75.564	1890.4	Kuwabara, Takuya; Guo, Jing-Dong; Nagase, Shigeru; Minoura, Mao; Herber, Rolfe H.; Saito, Masaichi Enhancement of Stannylene Character in Stannole Dianion Equivalents Evidenced by NMR and Mössbauer Spectroscopy and Theoretical Studies of Newly Synthesized Silyl-Substituted Dilithiostannoles Organometallics, 2014, 33, 2910
1516262	CIF	C20 H38 Au Cl4 N5	P -1	8.9016; 12.934; 13.6174 63.626; 78.563; 80.061	1370.35	Mirabdolbaghi, Roya; Dudding, Travis; Stamatatos, Theocharis A Class of Phase-Transfer Catalyst with Interionic Strain: Insight into the Bonding of Disubstituted N- vs Carbene-Stabilized N(I)-Centered Cations. Organic letters, 2014, 16, 2790-2793
1516263	CIF	C26 H41 Cl F9 N5 O6	P 1 21/c 1	16.646; 22.121; 9.329 90; 90.328; 90	3435.1	Mirabdolbaghi, Roya; Dudding, Travis; Stamatatos, Theocharis A Class of Phase-Transfer Catalyst with Interionic Strain: Insight into the Bonding of Disubstituted N- vs Carbene-Stabilized N(I)-Centered Cations. Organic letters, 2014, 16, 2790-2793
1516264	CIF	C24 H25 Cl N2 O4	P 21 21 21	11.939; 12.451; 15.057 90; 90; 90	2238.3	Zhang, Han-Ming; Gao, Zhong-Hua; Ye, Song Bifunctional N-Heterocyclic Carbene-Catalyzed Highly Enantioselective Synthesis of Spirocyclic Oxindolo-β-lactams. Organic letters, 2014, 16, 3079-3081
1516265	CIF	C24 H16 N2 O	P b c a	14.7042; 8.8119; 27.6407 90; 90; 90	3581.46	Dong, Jiaxing; Wang, Fei; You, Jingsong Copper-Mediated Tandem Oxidative C(sp(2))-H/C(sp)-H Alkynylation and Annulation of Arenes with Terminal Alkynes. Organic letters, 2014, 16, 2884-2887
1516266	CIF	C76 H59 B F15 O7 Si U	P -1	13.6767; 15.7946; 16.3191 102.448; 93.042; 96.154	3411.96	Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W. Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage Chemical Science, 2014, 5, 3204
1516267	CIF	C68 H52 B F15 O7 Si U	P -1	12.8552; 15.7463; 16.5535 100.009; 103.592; 90.593	3202.79	Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W. Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage Chemical Science, 2014, 5, 3204
1516268	CIF	C54 H37 B F15 O6 Si U	P -1	12.0721; 12.2867; 17.884 89.672; 80.12; 78.024	2555.2	Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W. Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage Chemical Science, 2014, 5, 3204
1516269	CIF	C73 H48 B F15 O7 U	P 1	15.1204; 16.1764; 16.4479 112.966; 96.391; 115.286	3157	Pedrick, E. A.; Wu, G.; Kaltsoyannis, N.; Hayton, T. W. Reductive silylation of a uranyl dibenzoylmethanate complex: an example of controlled uranyl oxo ligand cleavage Chemical Science, 2014, 5, 3204
1516270	CIF	C86 H82 Dy N19 O2	P -1	11.6002; 15.3265; 22.3436 92.48; 95.186; 109.408	3720	Marx, R.; Moro, F.; Dörfel, M.; Ungur, L.; Waters, M.; Jiang, S. D.; Orlita, M.; Taylor, J.; Frey, W.; Chibotaru, L. F.; van Slageren, J. Spectroscopic determination of crystal field splittings in lanthanide double deckers Chemical Science, 2014, 5, 3287
1516271	CIF	C86 H82 Er N19 O2	P -1	11.5308; 15.2909; 22.27 92.524; 95.122; 109.342	3678.8	Marx, R.; Moro, F.; Dörfel, M.; Ungur, L.; Waters, M.; Jiang, S. D.; Orlita, M.; Taylor, J.; Frey, W.; Chibotaru, L. F.; van Slageren, J. Spectroscopic determination of crystal field splittings in lanthanide double deckers Chemical Science, 2014, 5, 3287
1516272	CIF	C86 H82 Ho N19 O2	P -1	11.5698; 15.3429; 22.3337 92.514; 95.132; 109.356	3714.1	Marx, R.; Moro, F.; Dörfel, M.; Ungur, L.; Waters, M.; Jiang, S. D.; Orlita, M.; Taylor, J.; Frey, W.; Chibotaru, L. F.; van Slageren, J. Spectroscopic determination of crystal field splittings in lanthanide double deckers Chemical Science, 2014, 5, 3287
1516273	CIF	C76 H118 B2 K2 O8	P b c a	16.1537; 19.955; 22.8279 90; 90; 90	7358.5	Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole Chemical Science, 2014, 5, 3189
1516274	CIF	C60 H86 B2 K2 O4	P 1 21/c 1	10.3128; 14.6667; 19.3119 90; 102.005; 90	2857.13	Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole Chemical Science, 2014, 5, 3189
1516275	CIF	C44 H56 B2	P -1	11.337; 11.9746; 13.9071 83.312; 85.92; 88.345	1869.97	Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole Chemical Science, 2014, 5, 3189
1516276	CIF	C66 H88 B2 Cl4 Co	P -1	11.5296; 13.4868; 14.6512 112.337; 111.343; 95.399	1890	Araneda, Juan F.; Piers, Warren E.; Sgro, Michael J.; Parvez, Masood Bronsted acid-catalyzed skeletal rearrangements in polycyclic conjugated boracycles: a thermal route to a ladder diborole Chemical Science, 2014, 5, 3189
1516277	CIF	C116 H134 Cl4 Fe2 O4 P4	C 1 2/c 1	16.5044; 23.0305; 28.6494 90; 104.041; 90	10564.4	Heinl, Sebastian; Scheer, Manfred Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals Chemical Science, 2014, 5, 3221
1516278	CIF	C116 H134 As4 Cl4 Fe2 O4	C 1 2/c 1	16.0862; 23.1908; 29.2063 90; 103.712; 90	10584.9	Heinl, Sebastian; Scheer, Manfred Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals Chemical Science, 2014, 5, 3221
1516279	CIF	C116 H133.5 Cl2 Fe2 N0.5 O4 P4 S3	P -1	18.6002; 19.1311; 30.2819 89.89; 88.546; 84.899	10729.4	Heinl, Sebastian; Scheer, Manfred Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals Chemical Science, 2014, 5, 3221
1516280	CIF	C114 H130 Fe2 O4 P4 Se3	P -1	13.6386; 16.2697; 23.7755 77.294; 86.087; 85.081	5120.9	Heinl, Sebastian; Scheer, Manfred Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals Chemical Science, 2014, 5, 3221
1516281	CIF	C114 H130 Fe2 O3 S2	P -1	12.6885; 13.6189; 15.8914 103.957; 103.841; 103.076	2467.36	Heinl, Sebastian; Scheer, Manfred Activation of group 15 based cage compounds by [CpBIGFe(CO)2] radicals Chemical Science, 2014, 5, 3221
1516282	CIF	C60 H60 Cd2 N10 O21	C 1 2/c 1	47.182; 9.857; 32.787 90; 101.008; 90	14968	Song, Bai-Qiao; Wang, Xin-Long; Yang, Guang-Sheng; Wang, Hai-Ning; Liang, Jun; Shao, Kui-Zhan; Su, Zhong-Min A polyrotaxane-like metal‒organic framework exhibiting luminescent sensing of Eu3+cations and proton conductivity CrystEngComm, 2014, 16, 6882
1516284	CIF	C4 H10 N2 O5 Zn	P -1	9.09; 9.537; 10.42 106.112; 105.815; 106.854	766.9	Mroué, Kamal H; Power, William P. High-field solid-state (67)Zn NMR spectroscopy of several zinc-amino acid complexes. The journal of physical chemistry. A, 2010, 114, 324-335
1516285	CIF	C6 H8 Cl2 N4 Zn	P 1 21/n 1	7.9306; 11.7739; 11.4156 90; 105.441; 90	1027.45	Mroué, Kamal H; Power, William P. High-field solid-state (67)Zn NMR spectroscopy of several zinc-amino acid complexes. The journal of physical chemistry. A, 2010, 114, 324-335
1516286	CIF	C6 H22 N2 Na2 O10 S2 Zn	C 1 2 1	5.1893; 23.2065; 15.0008 90; 92.561; 90	1804.67	Mroué, Kamal H; Power, William P. High-field solid-state (67)Zn NMR spectroscopy of several zinc-amino acid complexes. The journal of physical chemistry. A, 2010, 114, 324-335
1516287	CIF	C24 H12 O13 Zn4	F m -3 m	25.8247; 25.8247; 25.8247 90; 90; 90	17222.9	Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181
1516288	CIF	C24 H12 O13 Zn4	F m -3 m	25.773; 25.773; 25.773 90; 90; 90	17119.7	Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181
1516289	CIF	C24 H12 O13 Zn4	F m -3 m	25.8825; 25.8825; 25.8825 90; 90; 90	17338.8	Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181
1516290	CIF	C24 H12 O13 Zn4	F m -3 m	25.755; 25.755; 25.755 90; 90; 90	17083.8	Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181
1516291	CIF	C24 H12 O13 Zn4	F m -3 m	25.8323; 25.8323; 25.8323 90; 90; 90	17238.1	Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181
1516292	CIF	C24 H12 O13 Zn4	F m -3 m	25.7555; 25.7555; 25.7555 90; 90; 90	17084.8	Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181
1516293	CIF	C24 H12 O13 Zn4	F m -3 m	25.8604; 25.8604; 25.8604 90; 90; 90	17294.4	Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181
1516294	CIF	C24 H12 O13 Zn4	F m -3 m	25.8643; 25.8643; 25.8643 90; 90; 90	17302.2	Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181
1516295	CIF	C24 H12 O13 Zn4	F m -3 m	25.8164; 25.8164; 25.8164 90; 90; 90	17206.3	Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181
1516296	CIF	C24 H12 O13 Zn4	F m -3 m	25.7874; 25.7874; 25.7874 90; 90; 90	17148.4	Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181
1516297	CIF	C24 H12 O13 Zn4	F m -3 m	25.8751; 25.8751; 25.8751 90; 90; 90	17323.9	Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181
1516298	CIF	C24 H12 O13 Zn4	F m -3 m	25.8104; 25.8104; 25.8104 90; 90; 90	17194.3	Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181
1516299	CIF	C24 H12 O13 Zn4	F m -3 m	25.8919; 25.8919; 25.8919 90; 90; 90	17357.7	Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181
1516300	CIF	C24 H12 O13 Zn4	F m -3 m	25.803; 25.803; 25.803 90; 90; 90	17179.5	Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181
1516301	CIF	C24 H12 O13 Zn4	F m -3 m	25.8449; 25.8449; 25.8449 90; 90; 90	17263.3	Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181
1516302	CIF	C24 H12 O13 Zn4	F m -3 m	25.8503; 25.8503; 25.8503 90; 90; 90	17274.2	Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181
1516303	CIF	C24 H12 O13 Zn4	F m -3 m	25.8382; 25.8382; 25.8382 90; 90; 90	17249.9	Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181
1516304	CIF	C24 H12 O13 Zn4	F m -3 m	25.7677; 25.7677; 25.7677 90; 90; 90	17109.1	Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181
1516305	CIF	C24 H12 O13 Zn4	F m -3 m	25.7984; 25.7984; 25.7984 90; 90; 90	17170.3	Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181
1516306	CIF	C24 H12 O13 Zn4	F m -3 m	25.7783; 25.7783; 25.7783 90; 90; 90	17130.2	Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181
1516307	CIF	C24 H12 O13 Zn4	F m -3 m	25.7894; 25.7894; 25.7894 90; 90; 90	17152.4	Lock, Nina; Wu, Yue; Christensen, Mogens; Cameron, Lisa J.; Peterson, Vanessa K.; Bridgeman, Adam J.; Kepert, Cameron J.; Iversen, Bo B. Elucidating Negative Thermal Expansion in MOF-5 The Journal of Physical Chemistry C, 2010, 114, 16181
1516308	CIF	C7 H14 F N O20 Si10	I 4/m	9.1454; 9.1454; 13.3651 90; 90; 90	1117.83	Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I. Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure The Journal of Physical Chemistry C, 2010, 114, 6726
1516309	CIF	C7 H14 F N O20 Si10	I 4/m	9.1827; 9.1827; 13.3572 90; 90; 90	1126.31	Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I. Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure The Journal of Physical Chemistry C, 2010, 114, 6726
1516310	CIF	C7 H14 F N O20 Si10	I 4/m	9.1666; 9.1666; 13.3662 90; 90; 90	1123.12	Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I. Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure The Journal of Physical Chemistry C, 2010, 114, 6726
1516311	CIF	C7 H14 F N O20 Si10	I 4/m	9.154; 9.154; 13.3636 90; 90; 90	1119.81	Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I. Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure The Journal of Physical Chemistry C, 2010, 114, 6726
1516312	CIF	C7 H14 F N O20 Si10	I 4/m	9.1379; 9.1379; 13.3657 90; 90; 90	1116.05	Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I. Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure The Journal of Physical Chemistry C, 2010, 114, 6726
1516313	CIF	C7 H14 F N O20 Si10	I 4/m	9.1695; 9.1695; 13.344 90; 90; 90	1122	Amri, Mahrez; Clarkson, Guy J.; Walton, Richard I. Anisotropic Thermal Expansion of SiO2and AlPO4Clathrasils with the AST-Type Structure The Journal of Physical Chemistry C, 2010, 114, 6726
1516318	CIF	C25 H16 N4 O4	I -4 3 d	18.0373; 18.0373; 18.0373 90; 90; 90	5868.3	Beaudoin, Daniel; Maris, Thierry; Wuest, James D. Constructing monocrystalline covalent organic networks by polymerization Nature Chemistry, 2013, 5, 830-834
1516319	CIF	C25 H16 N4 O4	P -4 b 2	13.1545; 13.1545; 7.9818 90; 90; 90	1381.2	Beaudoin, Daniel; Maris, Thierry; Wuest, James D. Constructing monocrystalline covalent organic networks by polymerization Nature Chemistry, 2013, 5, 830-834
1516320	CIF	C24 H16 N4 O4 Si	P -4 b 2	13.421; 13.421; 8.528 90; 90; 90	1536.1	Beaudoin, Daniel; Maris, Thierry; Wuest, James D. Constructing monocrystalline covalent organic networks by polymerization Nature Chemistry, 2013, 5, 830-834
1516321	CIF	C34 H28 N4 O4	P 42/n :2	15.7703; 15.7703; 7.0717 90; 90; 90	1758.75	Beaudoin, Daniel; Maris, Thierry; Wuest, James D. Constructing monocrystalline covalent organic networks by polymerization Nature Chemistry, 2013, 5, 830-834
1516322	CIF	C20 H14 B F2 I O3	P 1 21/c 1	8.2225; 15.7819; 13.9342 90; 94.669; 90	1802.19	D’Aléo, Anthony; Heresanu, Vasile; Giorgi, Michel; Le Guennic, Boris; Jacquemin, Denis; Fages, Frédéric NIR Emission in Borondifluoride Complexes of 2′-Hydroxychalcone Derivatives Containing an Acetonaphthone Ring The Journal of Physical Chemistry C, 2014, 118, 11906
1516323	CIF	C22 H17 B F2 O3	P 1 21/c 1	7.0724; 13.4708; 18.7873 90; 92.283; 90	1788.46	D’Aléo, Anthony; Heresanu, Vasile; Giorgi, Michel; Le Guennic, Boris; Jacquemin, Denis; Fages, Frédéric NIR Emission in Borondifluoride Complexes of 2′-Hydroxychalcone Derivatives Containing an Acetonaphthone Ring The Journal of Physical Chemistry C, 2014, 118, 11906
1516324	CIF	C20 H13 B Br2 F2 O3	P 1 21/n 1	7.4641; 17.7664; 14.5841 90; 101.072; 90	1898	D’Aléo, Anthony; Heresanu, Vasile; Giorgi, Michel; Le Guennic, Boris; Jacquemin, Denis; Fages, Frédéric NIR Emission in Borondifluoride Complexes of 2′-Hydroxychalcone Derivatives Containing an Acetonaphthone Ring The Journal of Physical Chemistry C, 2014, 118, 11906
1516325	CIF	C9 H10 N O3 P	P 1 21/n 1	6.877; 16.165; 8.684 90; 107.06; 90	922.9	Kim, Yea Rin; Cho, Seungyoon; Lee, Phil Ho Metal-Free Azaphosphaannulation of Phosphonamides through Intramolecular Oxidative C-N Bond Formation. Organic letters, 2014, 16, 3098-3101
1516326	CIF	C10 H12 N O3 P	P 1 21/c 1	7.203; 8.501; 17.051 90; 90.9; 90	1044	Kim, Yea Rin; Cho, Seungyoon; Lee, Phil Ho Metal-Free Azaphosphaannulation of Phosphonamides through Intramolecular Oxidative C-N Bond Formation. Organic letters, 2014, 16, 3098-3101
1516327	CIF	C47 H76 P2 Pd Si	P 1 21/c 1	16.1665; 10.3002; 27.3994 90; 102.802; 90	4449.1	Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2 Chemical Science, 2014, 5, 3859
1516328	CIF	C47 H76 P2 Pd Si	P 1 21/n 1	14.8954; 18.9114; 16.6032 90; 106.453; 90	4485.5	Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2 Chemical Science, 2014, 5, 3859
1516329	CIF	C43 H64 O2 P2 Pd Si	P 1 21/n 1	12.6994; 25.26; 13.3608 90; 105.432; 90	4131.4	Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2 Chemical Science, 2014, 5, 3859
1516330	CIF	C39 H60 P2 Pd Si	P 1 21/c 1	9.374; 17.3855; 23.3068 90; 101.572; 90	3721.1	Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2 Chemical Science, 2014, 5, 3859
1516331	CIF	C44 H71 Al O2 P2 Pd Si	P 1 21/c 1	10.632; 23.5987; 19.2983 90; 105.726; 90	4660.7	Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2 Chemical Science, 2014, 5, 3859
1516332	CIF	C38 H55 F3 O3 P2 Pd S Si	P b c a	23.517; 21.766; 14.71 90; 90; 90	7530	Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2 Chemical Science, 2014, 5, 3859
1516333	CIF	C39 H60 P2 Pd Si	P 1 21/c 1	12.9946; 14.2318; 20.8681 90; 100.188; 90	3798.4	Suh, Hee-Won; Guard, Louise M.; Hazari, Nilay A mechanistic study of allene carboxylation with CO2resulting in the development of a Pd(ii) pincer complex for the catalytic hydroboration of CO2 Chemical Science, 2014, 5, 3859
1516334	CIF	C24 H21 Br2 N	P 1	8.187; 9.207; 27.256 90.044; 89.948; 106.384	1971.1	Thyrhaug, Erling; Hammershøj, Peter; Kjær, Kasper S; Sørensen, Thomas Just; Harrit, Niels H.; Nielsen, Martin M.; Bechgaard, Klaus Excited state kinetics of anthracene-bridge-aniline intramolecular exciplexes Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 1093-1105
1516335	CIF	C25 H23 Cl2 N	P -1	8.817; 20.29; 23.921 108.891; 90.992; 91.387	4046.3	Thyrhaug, Erling; Hammershøj, Peter; Kjær, Kasper S; Sørensen, Thomas Just; Harrit, Niels H.; Nielsen, Martin M.; Bechgaard, Klaus Excited state kinetics of anthracene-bridge-aniline intramolecular exciplexes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 1093-1105
1516336	CIF	C24 H21 Cl2 N	P -1	8.09; 9.054; 27.394 90; 90; 90	2007	Thyrhaug, Erling; Hammershøj, Peter; Kjær, Kasper S; Sørensen, Thomas Just; Harrit, Niels H.; Nielsen, Martin M.; Bechgaard, Klaus Excited state kinetics of anthracene-bridge-aniline intramolecular exciplexes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 1093-1105
1516337	CIF	C24 H22 Br N	P -1	9.285; 10.42; 10.928 67.167; 81.424; 78.925	953.03	Thyrhaug, Erling; Hammershøj, Peter; Kjær, Kasper S; Sørensen, Thomas Just; Harrit, Niels H.; Nielsen, Martin M.; Bechgaard, Klaus Excited state kinetics of anthracene-bridge-aniline intramolecular exciplexes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 1093-1105
1516338	CIF	C24 H22 Cl N	P -1	9.298; 10.261; 10.943 66.706; 81.271; 78.544	936.72	Thyrhaug, Erling; Hammershøj, Peter; Kjær, Kasper S; Sørensen, Thomas Just; Harrit, Niels H.; Nielsen, Martin M.; Bechgaard, Klaus Excited state kinetics of anthracene-bridge-aniline intramolecular exciplexes. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology, 2014, 13, 1093-1105
1516339	CIF	C12 H15 N O3	P 1 21 1	8.4867; 6.5654; 11.1325 90; 108.878; 90	586.92	Gietter, Amber A. S.; Gildner, Peter G.; Cinderella, Andrew P.; Watson, Donald A. General Route for Preparing β-Nitrocarbonyl Compounds Using Copper Thermal Redox Catalysis. Organic letters, 2014, 16, 3166-3169
1516340	CIF	C7 H11 N O4	P 21 21 21	5.8815; 8.9902; 15.9025 90; 90; 90	840.86	Gietter, Amber A. S.; Gildner, Peter G.; Cinderella, Andrew P.; Watson, Donald A. General Route for Preparing β-Nitrocarbonyl Compounds Using Copper Thermal Redox Catalysis. Organic letters, 2014, 16, 3166-3169
1516341	CIF	C14 H29 Cl N2 O3	P 1 21/c 1	8.9297; 13.194; 14.536 90; 98.9222; 90	1691.89	Gietter, Amber A. S.; Gildner, Peter G.; Cinderella, Andrew P.; Watson, Donald A. General Route for Preparing β-Nitrocarbonyl Compounds Using Copper Thermal Redox Catalysis. Organic letters, 2014, 16, 3166-3169
1516342	CIF	C14 H17 Cl2 N2 O3	P 1 21/c 1	14.922; 11.523; 9.548 90; 98.829; 90	1622	Gietter, Amber A. S.; Gildner, Peter G.; Cinderella, Andrew P.; Watson, Donald A. General Route for Preparing β-Nitrocarbonyl Compounds Using Copper Thermal Redox Catalysis. Organic letters, 2014, 16, 3166-3169
1516343	CIF	C19 H24 N2 O2	P 1 21/c 1	13.7462; 11.9167; 12.602 90; 106.292; 90	1981.4	Tian, Jingjing; Du, Qiuchen; Guo, Rui; Li, Yun; Cheng, Bin; Zhai, Hongbin Total synthesis of indole alkaloid (±)-subincanadine e. Organic letters, 2014, 16, 3173-3175
1516344	CIF	C32 H52 N4 O20	P 21 21 21	4.75; 18.89; 10.333 90; 90; 90	927	Sikorski, Pawel; Hori, Ritsuko; Wada, Masahisa Revisit of alpha-chitin crystal structure using high resolution X-ray diffraction data. Biomacromolecules, 2009, 10, 1100-1105
1516345	CIF	C32 H52 N4 O20	P 21 21 21	4.715; 18.77; 10.333 90; 90; 90	914	Sikorski, Pawel; Hori, Ritsuko; Wada, Masahisa Revisit of alpha-chitin crystal structure using high resolution X-ray diffraction data. Biomacromolecules, 2009, 10, 1100-1105
1516346	CIF	Bi4 Co0.3 O11 V1.7	I 4/m m m	3.92; 3.92; 15.5 90; 90; 90	238.179	Muller, C.; Anne, M.; Bacmann, M. Lattice vibrations and order-disorder transition in the oxide anion conductor BICOVOX.15: a neutron thermodiffractometry study Solid State Ionics, 1998, 111, 27-36
1516347	CIF	C9 H8 O2	P 1 21/n 1	5.6283; 17.9569; 7.7399 90; 96.844; 90	776.67	Benedict, Jason B.; Coppens, Philip Kinetics of the single-crystal to single-crystal two-photon photodimerization of alpha-trans-cinnamic acid to alpha-truxillic acid. The journal of physical chemistry. A, 2009, 113, 3116-3120
1516348	CIF	C9 H9 N O4	P 21 21 21	7.6786; 7.7348; 14.8561 90; 90; 90	882.34	Nelyubina, Yulia V.; Antipin, Mikhail Yu; Lyssenko, Konstantin A. Hydrogen bonds between zwitterions: intermediate between classical and charge-assisted ones. A case study. The journal of physical chemistry. A, 2009, 113, 3615-3620
1516349	CIF	C64 H76 Cl2 P4 Pd2	C 1 2/c 1	26.721; 12.755; 21.264 90; 101.51; 90	7101.59	Vitaliano, Rosa; Fratoddi, Ilaria; Venditti, Iole; Roviello, Giuseppina; Battocchio, Chiara; Polzonetti, Giovanni; Russo, Maria Vittoria Self-assembled monolayers based on Pd-containing organometallic thiols: preparation and structural characterization. The journal of physical chemistry. A, 2009, 113, 14730-14740
1516350	CIF	C66 H104 O2 P4 Pd2 S2	P -1	9.847; 13.52; 15.56 94.1; 106.5; 96.2	1963	Vitaliano, Rosa; Fratoddi, Ilaria; Venditti, Iole; Roviello, Giuseppina; Battocchio, Chiara; Polzonetti, Giovanni; Russo, Maria Vittoria Self-assembled monolayers based on Pd-containing organometallic thiols: preparation and structural characterization. The journal of physical chemistry. A, 2009, 113, 14730-14740
1516351	CIF	C28 H60 O2 P2 Pd S2	P 1	8.538; 10.605; 11.064 67.828; 81.864; 85.056	917.8	Vitaliano, Rosa; Fratoddi, Ilaria; Venditti, Iole; Roviello, Giuseppina; Battocchio, Chiara; Polzonetti, Giovanni; Russo, Maria Vittoria Self-assembled monolayers based on Pd-containing organometallic thiols: preparation and structural characterization. The journal of physical chemistry. A, 2009, 113, 14730-14740
1516352	CIF	C22 H27 Cl2 N3 O4	P -1	7.9275; 11.4889; 13.693 71.003; 73.267; 82.75	1128.55	Dey, Biswajit; Choudhury, Somnath Ray; Gamez, Patrick; Vargiu, Attilio Vittorio; Robertazzi, Arturo; Chen, Chih-Yuan; Lee, Hon Man; Jana, Atish Dipankar; Mukhopadhyay, Subrata Water-chloride and water-bromide hydrogen-bonded networks: influence of the nature of the halide ions on the stability of the supramolecular assemblies. The journal of physical chemistry. A, 2009, 113, 8626-8634
1516353	CIF	C22 H27 Br2 N3 O4	C 1 2/c 1	28.4117; 7.9256; 24.8399 90; 124.153; 90	4628.8	Dey, Biswajit; Choudhury, Somnath Ray; Gamez, Patrick; Vargiu, Attilio Vittorio; Robertazzi, Arturo; Chen, Chih-Yuan; Lee, Hon Man; Jana, Atish Dipankar; Mukhopadhyay, Subrata Water-chloride and water-bromide hydrogen-bonded networks: influence of the nature of the halide ions on the stability of the supramolecular assemblies. The journal of physical chemistry. A, 2009, 113, 8626-8634
1516354	CIF	C19 H18 Cl N5 O S	P 1 21/c 1	7.2743; 24.0163; 11.68 90; 110.354; 90	1913.11	Guo, Jixi; Liu, Lang; Jia, Dianzeng; Wang, Junhua; Xie, Xiaolin Solid-state photochromic properties and mechanism of 1-phenyl-3-methyl-4-(3-chlorobenzal)-5-hydroxypyrazole 4-methylthiosemicarbazone. The journal of physical chemistry. A, 2009, 113, 1255-1258
1516355	CIF	C3 H8 N2 O	P 21 21 2	4.979; 10.775; 4.5764 90; 90; 90	245.52	Martins, David M. S.; Spanswick, Christopher K.; Middlemiss, Derek S.; Abbas, Nasir; Pulham, Colin R.; Morrison, Carole A. A new polymorph of N,N'-dimethylurea characterized by X-ray diffraction and first-principles lattice dynamics calculations. The journal of physical chemistry. A, 2009, 113, 5998-6003
1516356	CIF	C55 H49 Eu F18 O8 P2	P -1	12.9551; 15.832; 16.3342 71.639; 70.877; 73.768	2945.6	Osawa, Masahisa; Hoshino, Mikio; Wada, Tatsuo; Hayashi, Fumi; Osanai, Shuichi Intra-complex energy transfer of europium(III) complexes containing anthracene and phenanthrene moieties. The journal of physical chemistry. A, 2009, 113, 10895-10902
1516357	CIF	C55 H49 Eu F18 O8 P2	P 1 21/n 1	15.804; 20.343; 18.9226 90; 96.2858; 90	6047.1	Osawa, Masahisa; Hoshino, Mikio; Wada, Tatsuo; Hayashi, Fumi; Osanai, Shuichi Intra-complex energy transfer of europium(III) complexes containing anthracene and phenanthrene moieties. The journal of physical chemistry. A, 2009, 113, 10895-10902
1516358	CIF	C14 H14 N4 O6	P -1	3.68; 7.595; 12.501 85.69; 88.01; 84.22	346.5	Schmidtmann, Marc; Farrugia, Louis J.; Middlemiss, Derek S.; Gutmann, Matthias J.; McIntyre, Garry J.; Wilson, Chick C. Experimental and theoretical charge density study of polymorphic isonicotinamide-oxalic acid molecular complexes with strong O...H...N hydrogen bonds. The journal of physical chemistry. A, 2009, 113, 13985-13997
1516359	CIF	C14 H14 N4 O6	C 1 2/c 1	11.72; 10.014; 12.187 90; 102.7; 90	1395.3	Schmidtmann, Marc; Farrugia, Louis J.; Middlemiss, Derek S.; Gutmann, Matthias J.; McIntyre, Garry J.; Wilson, Chick C. Experimental and theoretical charge density study of polymorphic isonicotinamide-oxalic acid molecular complexes with strong O...H...N hydrogen bonds. The journal of physical chemistry. A, 2009, 113, 13985-13997
1516360	CIF	C14 H14 N4 O6	P -1	3.6706; 7.6027; 12.478 85.523; 88.193; 84.252	345.31	Schmidtmann, Marc; Farrugia, Louis J.; Middlemiss, Derek S.; Gutmann, Matthias J.; McIntyre, Garry J.; Wilson, Chick C. Experimental and theoretical charge density study of polymorphic isonicotinamide-oxalic acid molecular complexes with strong O...H...N hydrogen bonds. The journal of physical chemistry. A, 2009, 113, 13985-13997
1516361	CIF	C14 H14 N4 O6	C 1 2/c 1	11.668; 9.9799; 12.1407 90; 102.747; 90	1378.89	Schmidtmann, Marc; Farrugia, Louis J.; Middlemiss, Derek S.; Gutmann, Matthias J.; McIntyre, Garry J.; Wilson, Chick C. Experimental and theoretical charge density study of polymorphic isonicotinamide-oxalic acid molecular complexes with strong O...H...N hydrogen bonds. The journal of physical chemistry. A, 2009, 113, 13985-13997
1516362	CIF	C72 H128.5 Co N14 O29 P	P 21 21 21	15.831; 22.374; 25.304 90; 90; 90	8963	Mebs, Stefan; Henn, Julian; Dittrich, Birger; Paulmann, Carsten; Luger, Peter Electron densities of three B12 vitamins. The journal of physical chemistry. A, 2009, 113, 8366-8378
1516363	CIF	C76 H132 Co N18 O30 P	P 21 21 21	15.12; 21.474; 27.219 90; 90; 90	8838	Mebs, Stefan; Henn, Julian; Dittrich, Birger; Paulmann, Carsten; Luger, Peter Electron densities of three B12 vitamins. The journal of physical chemistry. A, 2009, 113, 8366-8378
1516364	CIF	C63 H91 Co N13 O28.25 P	P 21 21 21	17.3; 17.69; 32.23 90; 90; 90	9864	Mebs, Stefan; Henn, Julian; Dittrich, Birger; Paulmann, Carsten; Luger, Peter Electron densities of three B12 vitamins. The journal of physical chemistry. A, 2009, 113, 8366-8378
1516365	CIF	C6 H5 N5 O6	P 1 c 1	7.309; 5.169; 11.583 90; 95.22; 90	435.8	Kohno, Yuji; Hiyoshi, Reiko I.; Yamaguchi, Yoshitaka; Matsumoto, Shinya; Koseki, Atsushi; Takahashi, Osamu; Yamasaki, Katsuyoshi; Ueda, Kazuyoshi Molecular dynamics studies of the structural change in 1,3-diamino-2,4,6-trinitrobenzene (DATB) in the crystalline state under high pressure. The journal of physical chemistry. A, 2009, 113, 2551-2560
1516366	CIF	C8 H5 Mn O3	P 1 21/n 1	10.7512; 6.9258; 11.6465 90; 115.794; 90	780.8	Borissova, Alexandra O.; Antipin, Mikhail Yu; Lyssenko, Konstantin A. Mutual influence of cyclopentadienyl and carbonyl ligands in cymantrene: QTAIM study. The journal of physical chemistry. A, 2009, 113, 10845-10851
1516367	CIF	C12 H18 N4 O8	P 1 21/c 1	7.2459; 20.9361; 9.7928 90; 97.402; 90	1473.2	Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking. The journal of physical chemistry. A, 2009, 113, 11354-11366
1516368	CIF	C12 H18 N4 O8	P 1 21/c 1	7.2445; 20.901; 9.7813 90; 97.413; 90	1468.7	Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking. The journal of physical chemistry. A, 2009, 113, 11354-11366
1516369	CIF	C10 H14 N4 O6	P 1 21/n 1	10.453; 9.464; 12.557 90; 102.551; 90	1212.5	Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking. The journal of physical chemistry. A, 2009, 113, 11354-11366
1516370	CIF	C16 H26 N4 O6	P -1	4.7244; 12.1071; 15.6874 84.553; 87.211; 88.585	892.01	Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking. The journal of physical chemistry. A, 2009, 113, 11354-11366
1516372	CIF	C10 H14 N4 O6	P 1 21/n 1	13.9814; 15.9511; 22.2275 90; 93.019; 90	4950.27	Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking. The journal of physical chemistry. A, 2009, 113, 11354-11366
1516373	CIF	C14 H22 N4 O6	P 1 21/n 1	8.3906; 14.517; 26.835 90; 91.427; 90	3267.7	Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking. The journal of physical chemistry. A, 2009, 113, 11354-11366
1516374	CIF	C22 H32 N4 O6	P c a 21	7.6093; 18.2086; 17.2841 90; 90; 90	2394.8	Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking. The journal of physical chemistry. A, 2009, 113, 11354-11366
1516375	CIF	C14 H22 N4 O6	P -1	4.8071; 10.6331; 16.15 80.715; 83.144; 87.224	808.5	Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking. The journal of physical chemistry. A, 2009, 113, 11354-11366
1516376	CIF	C10 H14 N4 O6	P b c a	17.4174; 7.0176; 19.344 90; 90; 90	2364.39	Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking. The journal of physical chemistry. A, 2009, 113, 11354-11366
1516377	CIF	C22 H18 N2	P b c n	12.7108; 7.8485; 34.116 90; 90; 90	3403.4	Yang, Jye-Shane; Lin, Cheng-Kai; Lahoti, Anand M.; Tseng, Chung-Kai; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming Effect of ground-state twisting on the trans –> cis photoisomerization and TICT state formation of aminostilbenes. The journal of physical chemistry. A, 2009, 113, 4868-4877
1516378	CIF	C22 H18 N2	P 1 21/n 1	10.0075; 28.672; 11.7698 90; 97.202; 90	3350.5	Yang, Jye-Shane; Lin, Cheng-Kai; Lahoti, Anand M.; Tseng, Chung-Kai; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming Effect of ground-state twisting on the trans –> cis photoisomerization and TICT state formation of aminostilbenes. The journal of physical chemistry. A, 2009, 113, 4868-4877
1516379	CIF	C22 H18 N2	P -1	9.2398; 9.8013; 19.7269 83.604; 87.026; 70.912	1677.5	Yang, Jye-Shane; Lin, Cheng-Kai; Lahoti, Anand M.; Tseng, Chung-Kai; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming Effect of ground-state twisting on the trans –> cis photoisomerization and TICT state formation of aminostilbenes. The journal of physical chemistry. A, 2009, 113, 4868-4877
1516380	CIF	C23 H20 N2	P 1 21/c 1	16.0282; 13.2482; 8.2983 90; 100.83; 90	1730.72	Yang, Jye-Shane; Lin, Cheng-Kai; Lahoti, Anand M.; Tseng, Chung-Kai; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming Effect of ground-state twisting on the trans –> cis photoisomerization and TICT state formation of aminostilbenes. The journal of physical chemistry. A, 2009, 113, 4868-4877
1516381	CIF	C23 H18 N2	P b c a	15.7; 6.8425; 33.139 90; 90; 90	3560	Yang, Jye-Shane; Lin, Cheng-Kai; Lahoti, Anand M.; Tseng, Chung-Kai; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming Effect of ground-state twisting on the trans –> cis photoisomerization and TICT state formation of aminostilbenes. The journal of physical chemistry. A, 2009, 113, 4868-4877
1516382	CIF	C23 H18 N2	P 1 21/c 1	7.589; 19.3827; 11.5468 90; 94.827; 90	1692.5	Yang, Jye-Shane; Lin, Cheng-Kai; Lahoti, Anand M.; Tseng, Chung-Kai; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming Effect of ground-state twisting on the trans –> cis photoisomerization and TICT state formation of aminostilbenes. The journal of physical chemistry. A, 2009, 113, 4868-4877
1516383	CIF	C19 H18 Cl2 N4	P 1 21 1	7.6007; 7.3647; 16.11 90; 93.9836; 90	899.61	Ma, Yan; Hao, Rui; Shao, Guangsheng; Wang, Yuan An excellent fluorescent dye with a twistable aromatic chain and its axially chiral crystals. The journal of physical chemistry. A, 2009, 113, 5066-5072
1516384	CIF	C5 H6 N2 O4	P 1 21/a 1	15.77423; 8.07596; 5.00886 90; 111.009; 90	595.671	Guidoni, Leonardo; Gontrani, Lorenzo; Bencivenni, Luigi; Sadun, Claudia; Ballirano, Paolo Overcoming the inadequacy of X-ray powder diffraction in reliable hydrogen location with the aid of first principles calculations: crystal structure determination of orotaldehyde monohydrate. The journal of physical chemistry. A, 2009, 113, 353-359
1516385	CIF	C14 H9 N O3	P 1 21/c 1	11.4213; 12.9119; 7.4058 90; 99.8483; 90	1076.04	Chen, Chyi-Lin; Lin, Chun-Wei; Hsieh, Cheng-Chih; Lai, Chin-Hung; Lee, Gene-Hsiang; Wang, Chih-Chieh; Chou, Pi-Tai Dual excited-state intramolecular proton transfer reaction in 3-hydroxy-2-(pyridin-2-yl)-4H-chromen-4-one. The journal of physical chemistry. A, 2009, 113, 205-214
1516386	CIF	C3 H5 Li O2	P 1 21/c 1	9.609; 4.941; 8.648 90; 94.99; 90	409.03	Martínez Casado, F J; Ramos Riesco, M.; García Pérez, M V; Redondo, M. I.; López-Andrés, S; Rodríguez Cheda, J A Structural and thermodynamic study on short metal alkanoates: lithium propanoate and pentanoate. The journal of physical chemistry. B, 2009, 113, 12896-12902
1516387	CIF	C3 H5 Li O2	P 1 21/c 1	9.823; 4.933; 8.812 90; 96.86; 90	423.94	Martínez Casado, F J; Ramos Riesco, M.; García Pérez, M V; Redondo, M. I.; López-Andrés, S; Rodríguez Cheda, J A Structural and thermodynamic study on short metal alkanoates: lithium propanoate and pentanoate. The journal of physical chemistry. B, 2009, 113, 12896-12902
1516388	CIF	C3 H5 Li O2	P 1 21/c 1	9.646; 4.932; 8.698 90; 95.36; 90	411.99	Martínez Casado, F J; Ramos Riesco, M.; García Pérez, M V; Redondo, M. I.; López-Andrés, S; Rodríguez Cheda, J A Structural and thermodynamic study on short metal alkanoates: lithium propanoate and pentanoate. The journal of physical chemistry. B, 2009, 113, 12896-12902
1516389	CIF	C5 H9 Li O2	P 1 21/c 1	14.181; 4.889; 8.63 90; 95.81; 90	595.3	Martínez Casado, F J; Ramos Riesco, M.; García Pérez, M V; Redondo, M. I.; López-Andrés, S; Rodríguez Cheda, J A Structural and thermodynamic study on short metal alkanoates: lithium propanoate and pentanoate. The journal of physical chemistry. B, 2009, 113, 12896-12902
1516390	CIF	C5 H9 Li O2	P 1 21/c 1	14.358; 4.941; 8.846 90; 93.92; 90	626.1	Martínez Casado, F J; Ramos Riesco, M.; García Pérez, M V; Redondo, M. I.; López-Andrés, S; Rodríguez Cheda, J A Structural and thermodynamic study on short metal alkanoates: lithium propanoate and pentanoate. The journal of physical chemistry. B, 2009, 113, 12896-12902
1516391	CIF	C39 H39 N5 O6	P 1 21/c 1	10.441; 42.197; 8.299 90; 111.46; 90	3402.9	Ghosh, Kumaresh; Masanta, Goutam; Fröhlich, Roland; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula Triphenylamine-based receptors in selective recognition of dicarboxylic acids. The journal of physical chemistry. B, 2009, 113, 7800-7809
1516392	CIF	C38 H35 Br Cl3 N5 O6	P 1 21/n 1	11.886; 19.507; 16.746 90; 103.22; 90	3779.8	Ghosh, Kumaresh; Masanta, Goutam; Fröhlich, Roland; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula Triphenylamine-based receptors in selective recognition of dicarboxylic acids. The journal of physical chemistry. B, 2009, 113, 7800-7809
1516393	CIF	C72 H81 N3 O6	P -1	11.39; 12.106; 24.799 103.162; 95.459; 108.054	3114.6	Chinta, Jugun Prakash; Acharya, Amitabha; Kumar, Amit; Rao, Chebrolu P. Spectroscopy and microscopy studies of the recognition of amino acids and aggregation of proteins by Zn(II) complex of lower rim naphthylidene conjugate of calix[4]arene. The journal of physical chemistry. B, 2009, 113, 12075-12083
1516394	CIF	C92 H156 Br Cl N30 O53	P -1	14.97; 15.11; 29.968 104.6; 102.7; 90	6388	Fedorova, Olga A.; Chernikova, Ekaterina Yu; Fedorov, Yuri V.; Gulakova, Elena N.; Peregudov, Aleksander S.; Lyssenko, Konstantin A.; Jonusauskas, Gediminas; Isaacs, Lyle Cucurbit[7]uril complexes of crown-ether derived styryl and (bis)styryl dyes. The journal of physical chemistry. B, 2009, 113, 10149-10158
1516395	CIF	C6 H6 Eu O9	P n n m	13.4361; 6.625; 10.1416 90; 90; 90	902.75	Rodrigues, Marcelo O.; Paz, Filipe A Almeida; Freire, Ricardo O.; de Sá, Gilberto F; Galembeck, André; Montenegro, Maria C. B. S. M.; Araújo, Alberto N; Alves, S. Modeling, structural, and spectroscopic studies of lanthanide-organic frameworks. The journal of physical chemistry. B, 2009, 113, 12181-12188
1516396	CIF	C6 H6 Gd O9	P n n m	13.3662; 6.5897; 10.1045 90; 90; 90	890	Rodrigues, Marcelo O.; Paz, Filipe A Almeida; Freire, Ricardo O.; de Sá, Gilberto F; Galembeck, André; Montenegro, Maria C. B. S. M.; Araújo, Alberto N; Alves, S. Modeling, structural, and spectroscopic studies of lanthanide-organic frameworks. The journal of physical chemistry. B, 2009, 113, 12181-12188
1516397	CIF	C6 H6 O9 Tb	P n n m	13.341; 6.5718; 10.0912 90; 90; 90	884.74	Rodrigues, Marcelo O.; Paz, Filipe A Almeida; Freire, Ricardo O.; de Sá, Gilberto F; Galembeck, André; Montenegro, Maria C. B. S. M.; Araújo, Alberto N; Alves, S. Modeling, structural, and spectroscopic studies of lanthanide-organic frameworks. The journal of physical chemistry. B, 2009, 113, 12181-12188
1516398	CIF	C21 H15 N6 Ni S4	P 1 21/c 1	12.137; 26.69; 7.526 90; 103.896; 90	2366.6	Tian, Zhengfang; Duan, Haibao; Ren, Xiaoming; Lu, Changsheng; Li, Yizhi; Song, You; Zhu, Huizhen; Meng, Qingjin Two spin-peierls-like compounds exhibiting divergent structural features, lattice compression, and expansion in the low- temperature phase. The journal of physical chemistry. B, 2009, 113, 8278-8283
1516399	CIF	C21 H14 N5 Ni S4	P 1 21/c 1	12.123; 26.446; 7.389 90; 103.168; 90	2306.7	Tian, Zhengfang; Duan, Haibao; Ren, Xiaoming; Lu, Changsheng; Li, Yizhi; Song, You; Zhu, Huizhen; Meng, Qingjin Two spin-peierls-like compounds exhibiting divergent structural features, lattice compression, and expansion in the low- temperature phase. The journal of physical chemistry. B, 2009, 113, 8278-8283
1516400	CIF	C21 H14 N5 Ni S4	P -1	7.239; 12.109; 26.347 88.629; 86.36; 76.992	2245.6	Tian, Zhengfang; Duan, Haibao; Ren, Xiaoming; Lu, Changsheng; Li, Yizhi; Song, You; Zhu, Huizhen; Meng, Qingjin Two spin-peierls-like compounds exhibiting divergent structural features, lattice compression, and expansion in the low- temperature phase. The journal of physical chemistry. B, 2009, 113, 8278-8283
1516401	CIF	C21 H15 N6 Ni S4	P -1	7.311; 12.252; 28.68 91.557; 92.682; 104.625	2481	Tian, Zhengfang; Duan, Haibao; Ren, Xiaoming; Lu, Changsheng; Li, Yizhi; Song, You; Zhu, Huizhen; Meng, Qingjin Two spin-peierls-like compounds exhibiting divergent structural features, lattice compression, and expansion in the low- temperature phase. The journal of physical chemistry. B, 2009, 113, 8278-8283
1516402	CIF	C10 H18 Cl3 Eu N2 O5	P -1	6.9602; 11.046; 11.432 89.2875; 85.9659; 75.6017	849.19	Puntus, Lada N.; Lyssenko, Konstantin A.; Pekareva, Irina S.; Bünzli, Jean-Claude G Intermolecular interactions as actors in energy-transfer processes in lanthanide complexes with 2,2'-bipyridine. The journal of physical chemistry. B, 2009, 113, 9265-9277
1516403	CIF	C10 H18 Cl3 N2 O5 Tb	P -1	6.9347; 10.9975; 11.4293 89.275; 85.846; 75.644	842.2	Puntus, Lada N.; Lyssenko, Konstantin A.; Pekareva, Irina S.; Bünzli, Jean-Claude G Intermolecular interactions as actors in energy-transfer processes in lanthanide complexes with 2,2'-bipyridine. The journal of physical chemistry. B, 2009, 113, 9265-9277
1516404	CIF	C20 H38.3 Cl6 Eu2 N4 O11.15	P -1	8.0772; 9.4719; 24.046 86.23; 87.6618; 75.2674	1774.79	Puntus, Lada N.; Lyssenko, Konstantin A.; Pekareva, Irina S.; Bünzli, Jean-Claude G Intermolecular interactions as actors in energy-transfer processes in lanthanide complexes with 2,2'-bipyridine. The journal of physical chemistry. B, 2009, 113, 9265-9277
1516405	CIF	C20 H38.3 Cl6 N4 O11.15 Tb2	P -1	8.0501; 9.4525; 23.9554 86.419; 87.878; 75.301	1759.33	Puntus, Lada N.; Lyssenko, Konstantin A.; Pekareva, Irina S.; Bünzli, Jean-Claude G Intermolecular interactions as actors in energy-transfer processes in lanthanide complexes with 2,2'-bipyridine. The journal of physical chemistry. B, 2009, 113, 9265-9277
1516406	CIF	C20 H20 Cl3 Eu N4 O2	C 1 2/c 1	15.6601; 11.3228; 13.9002 90; 117.066; 90	2194.8	Puntus, Lada N.; Lyssenko, Konstantin A.; Pekareva, Irina S.; Bünzli, Jean-Claude G Intermolecular interactions as actors in energy-transfer processes in lanthanide complexes with 2,2'-bipyridine. The journal of physical chemistry. B, 2009, 113, 9265-9277
1516407	CIF	C20 H26 Cl3 N4 O5 Tb	P 1 21/n 1	17.0971; 9.2782; 17.1306 90; 116.493; 90	2432.1	Puntus, Lada N.; Lyssenko, Konstantin A.; Pekareva, Irina S.; Bünzli, Jean-Claude G Intermolecular interactions as actors in energy-transfer processes in lanthanide complexes with 2,2'-bipyridine. The journal of physical chemistry. B, 2009, 113, 9265-9277
1516408	CIF	C20 H22 Cl3 Eu N4 O3	P -1	7.4596; 17.774; 19.394 66.106; 88.232; 83.116	2333.6	Puntus, Lada N.; Lyssenko, Konstantin A.; Pekareva, Irina S.; Bünzli, Jean-Claude G Intermolecular interactions as actors in energy-transfer processes in lanthanide complexes with 2,2'-bipyridine. The journal of physical chemistry. B, 2009, 113, 9265-9277
1516409	CIF	C22.5 H28.24 Cl3 Eu N4 O3.62	I 2 3	25.8471; 25.8471; 25.8471 90; 90; 90	17268	Puntus, Lada N.; Lyssenko, Konstantin A.; Pekareva, Irina S.; Bünzli, Jean-Claude G Intermolecular interactions as actors in energy-transfer processes in lanthanide complexes with 2,2'-bipyridine. The journal of physical chemistry. B, 2009, 113, 9265-9277
1516410	CIF	C20 H24 Cl2 Cu N4 O6	P 21 21 21	6.6825; 16.2052; 20.21 90; 90; 90	2188.6	Offenbacher, Adam; White, Kimberly N.; Sen, Indranil; Oliver, Allen G.; Konopelski, Joseph P.; Barry, Bridgette A.; Einarsdóttir, Olöf A spectroscopic investigation of a tridentate Cu-complex mimicking the tyrosine-histidine cross-link of cytochrome C oxidase. The journal of physical chemistry. B, 2009, 113, 7407-7417
1516411	CIF	C6 H5 N O3	P -1	6.976; 11.231; 16.29 82.55; 78.279; 75.166	1203.9	Santos, Rui C.; Figueira, Rita M. B. B. M.; Piedade, M Fátima M; Diogo, Hermínio P; Minas da Piedade, Manuel E. Energetics and structure of hydroxynicotinic acids. Crystal structures of 2-, 4-, 6-hydroxynicotinic and 5-chloro-6-hydroxynicotinic acids. The journal of physical chemistry. B, 2009, 113, 14291-14309
1516412	CIF	C6 H4 Cl N O3	P 1 21/c 1	5.469; 10.529; 11.795 90; 97.72; 90	673	Santos, Rui C.; Figueira, Rita M. B. B. M.; Piedade, M Fátima M; Diogo, Hermínio P; Minas da Piedade, Manuel E. Energetics and structure of hydroxynicotinic acids. Crystal structures of 2-, 4-, 6-hydroxynicotinic and 5-chloro-6-hydroxynicotinic acids. The journal of physical chemistry. B, 2009, 113, 14291-14309
1516413	CIF	C6 H5 N O3	P 1 21/n 1	3.797; 7.354; 20.905 90; 90.007; 90	583.7	Santos, Rui C.; Figueira, Rita M. B. B. M.; Piedade, M Fátima M; Diogo, Hermínio P; Minas da Piedade, Manuel E. Energetics and structure of hydroxynicotinic acids. Crystal structures of 2-, 4-, 6-hydroxynicotinic and 5-chloro-6-hydroxynicotinic acids. The journal of physical chemistry. B, 2009, 113, 14291-14309
1516414	CIF	C6 H5 N O3	P 1 21/c 1	3.804; 14.582; 10.673 90; 94.254; 90	590.4	Santos, Rui C.; Figueira, Rita M. B. B. M.; Piedade, M Fátima M; Diogo, Hermínio P; Minas da Piedade, Manuel E. Energetics and structure of hydroxynicotinic acids. Crystal structures of 2-, 4-, 6-hydroxynicotinic and 5-chloro-6-hydroxynicotinic acids. The journal of physical chemistry. B, 2009, 113, 14291-14309
1516415	CIF	C7 H14 F6 N2 O5 S2	P n a 21	9.657; 11.141; 14.651 90; 90; 90	1576	Nockemann, Peter; Binnemans, Koen; Thijs, Ben; Parac-Vogt, Tatjana N; Merz, Klaus; Mudring, Anja-Verena; Menon, Preethy Chirukandath; Rajesh, Ravindran Nair; Cordoyiannis, George; Thoen, Jan; Leys, Jan; Glorieux, Christ Temperature-driven mixing-demixing behavior of binary mixtures of the ionic liquid choline bis(trifluoromethylsulfonyl)imide and water. The journal of physical chemistry. B, 2009, 113, 1429-1437
1516416	CIF	C23 H125 N O41	P -6 m 2	12.15; 12.15; 12.58 90; 90; 120	1608.3	Terekhova, Irina S.; Manakov, Andrey Yu; Soldatov, Dmitriy V.; Suwinska, Kinga; Skiba, Sergey S.; Stenin, Yuri G.; Villevald, Galina V.; Karpova, Tamara D.; Yunoshev, Alexander S. Calorimetric and X-ray studies of clathrate hydrates of tetraisoamylammonium polyacrylates. The journal of physical chemistry. B, 2009, 113, 5760-5768
1516417	CIF	C54 H78 I2 N26 O20	P 1 21/n 1	11.8818; 24.8098; 22.2737 90; 92.249; 90	6560.9	Khan, Muhammad S. A.; Heger, Dominik; Necas, Marek; Sindelar, Vladimir Remarkable salt effect on stability of supramolecular complex between modified cucurbit[6]uril and methylviologen in aqueous media. The journal of physical chemistry. B, 2009, 113, 11054-11057
1516418	CIF	C45 H92 N24 O32	P -1	11.649; 16.574; 17.187 90.1; 102.57; 98.12	3204	Khan, Muhammad S. A.; Heger, Dominik; Necas, Marek; Sindelar, Vladimir Remarkable salt effect on stability of supramolecular complex between modified cucurbit[6]uril and methylviologen in aqueous media. The journal of physical chemistry. B, 2009, 113, 11054-11057
1516419	CIF	C24 H12 F6 O2 S2	C m c a	6.844; 22.211; 13.877 90; 90; 90	2109	Ie, Yutaka; Nitani, Masashi; Uemura, Takafumi; Tominari, Yukihiro; Takeya, Jun; Honsho, Yoshihito; Saeki, Akinori; Seki, Shu; Aso, Yoshio Comprehensive Evaluation of Electron Mobility for a Trifluoroacetyl-Terminated Electronegative Conjugated Oligomer The Journal of Physical Chemistry C, 2009, 113, 17189
1516420	CIF	C30 H22	P 1 21/n 1	5.25; 9.4591; 20.734 90; 90.7; 90	1029.6	He, Jiating; Xu, Bin; Chen, Feipeng; Xia, Haijian; Li, Kunpeng; Ye, Ling; Tian, Wenjing Aggregation-Induced Emission in the Crystals of 9,10-Distyrylanthracene Derivatives: The Essential Role of Restricted Intramolecular Torsion The Journal of Physical Chemistry C, 2009, 113, 9892
1516421	CIF	C38 H38 O2	P -1	9.5989; 12.563; 14.354 110.05; 107.52; 99.46	1479.8	He, Jiating; Xu, Bin; Chen, Feipeng; Xia, Haijian; Li, Kunpeng; Ye, Ling; Tian, Wenjing Aggregation-Induced Emission in the Crystals of 9,10-Distyrylanthracene Derivatives: The Essential Role of Restricted Intramolecular Torsion The Journal of Physical Chemistry C, 2009, 113, 9892
1516422	CIF	C38 H38 O2	P 1 21/c 1	9.2404; 8.6917; 18.711 90; 97.04; 90	1491.4	He, Jiating; Xu, Bin; Chen, Feipeng; Xia, Haijian; Li, Kunpeng; Ye, Ling; Tian, Wenjing Aggregation-Induced Emission in the Crystals of 9,10-Distyrylanthracene Derivatives: The Essential Role of Restricted Intramolecular Torsion The Journal of Physical Chemistry C, 2009, 113, 9892
1516423	CIF	C32 H26 O2	P -1	6.9598; 8.8751; 10.465 101.5; 99.17; 105.19	595.8	He, Jiating; Xu, Bin; Chen, Feipeng; Xia, Haijian; Li, Kunpeng; Ye, Ling; Tian, Wenjing Aggregation-Induced Emission in the Crystals of 9,10-Distyrylanthracene Derivatives: The Essential Role of Restricted Intramolecular Torsion The Journal of Physical Chemistry C, 2009, 113, 9892
1516424	CIF	H4 Li2.79 Mg2.66 N4	I -4 2 m	5.12981; 5.12981; 9.6191 90; 90; 90	253.13	Weidner, Eveline; Dolci, Francesco; Hu, Jianjiang; Lohstroh, Wiebke; Hansen, Thomas; Bull, Daniel J.; Fichtner, Maximilian Hydrogenation Reaction Pathway in Li2Mg(NH)2 The Journal of Physical Chemistry C, 2009, 113, 15772
1516425	CIF	C23 H33 N S	C 1 2/c 1	38.898; 6.1786; 19.3956 90; 112.449; 90	4308.2	Bourque, Alex N.; Dufresne, Stéphane; Skene, W. G. Thiophene-Phenyl Azomethines with Varying Rotational Barriers - Model Compounds for Examining Imine Fluorescence Deactivation The Journal of Physical Chemistry C, 2009, 113, 19677
1516426	CIF	C166 H64 N12 Ni2	C 1 2/c 1	36.842; 14.498; 24.607 90; 115.396; 90	11873	Nobukuni, Hirofumi; Tani, Fumito; Shimazaki, Yuichi; Naruta, Yoshinori; Ohkubo, Kei; Nakanishi, Tatsuaki; Kojima, Takahiko; Fukuzumi, Shunichi; Seki, Shu Anisotropic High Electron Mobility and Photodynamics of a Self-Assembled Porphyrin Nanotube Including C60Molecules The Journal of Physical Chemistry C, 2009, 113, 19694
1516427	CIF	C21 H21 N Si	P c c n	19.1697; 21.281; 9.166 90; 90; 90	3739.3	Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers The Journal of Physical Chemistry C, 2009, 113, 19686
1516428	CIF	C38 H30 N2 Si	P -1	8.4321; 12.7787; 13.8467 88.084; 81.072; 80.929	1455.4	Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers The Journal of Physical Chemistry C, 2009, 113, 19686
1516429	CIF	C56 H36 Cl2 N3 Si	P 1 21/c 1	15.3044; 20.9557; 14.1004 90; 97.804; 90	4480.3	Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers The Journal of Physical Chemistry C, 2009, 113, 19686
1516430	CIF	C72 H48 N4 Si	P -1	8.2688; 13.798; 23.516 79.314; 80.893; 81.98	2586.4	Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers The Journal of Physical Chemistry C, 2009, 113, 19686
1516431	CIF	C36 H27 N Si	P 1 21 1	12.622; 7.267; 16.01 90; 110.752; 90	1373	Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers The Journal of Physical Chemistry C, 2009, 113, 19686
1516432	CIF	C48 H34 N2 Si	C 1 2/c 1	17.632; 20.248; 30.81 90; 101.527; 90	10778	Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers The Journal of Physical Chemistry C, 2009, 113, 19686
1516433	CIF	C30 H20 N2	P 21 21 21	9.0748; 12.493; 19.025 90; 90; 90	2156.9	Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers The Journal of Physical Chemistry C, 2009, 113, 19686
1516434	CIF	B12 H12 Na2	P 1 21/n 1	7.03062; 10.65399; 7.0093 90; 94.6759; 90	523.28	Her, Jae-Hyuk; Zhou, Wei; Stavila, Vitalie; Brown, Craig M.; Udovic, Terrence J. Role of Cation Size on the Structural Behavior of the Alkali-Metal Dodecahydro-closo-Dodecaborates The Journal of Physical Chemistry C, 2009, 113, 11187
1516435	CIF	C32 H28 B F2 N2	P -1	6.7344; 13.4028; 14.985 74.755; 84.053; 76.716	1268.7	Hu, Rongrong; Lager, Erik; Aguilar-Aguilar, Angélica; Liu, Jianzhao; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Zhong, Yongchun; Wong, Kam Sing; Peña-Cabrera, Eduardo; Tang, Ben Zhong Twisted Intramolecular Charge Transfer and Aggregation-Induced Emission of BODIPY Derivatives The Journal of Physical Chemistry C, 2009, 113, 15845
1516436	CIF	C27 H20 B F2 N3	P 1 21/c 1	13.1915; 13.6706; 12.3036 90; 106.822; 90	2123.8	Hu, Rongrong; Lager, Erik; Aguilar-Aguilar, Angélica; Liu, Jianzhao; Lam, Jacky W. Y.; Sung, Herman H. Y.; Williams, Ian D.; Zhong, Yongchun; Wong, Kam Sing; Peña-Cabrera, Eduardo; Tang, Ben Zhong Twisted Intramolecular Charge Transfer and Aggregation-Induced Emission of BODIPY Derivatives The Journal of Physical Chemistry C, 2009, 113, 15845
1516437	CIF	C33 H34 Br N2 O10 Re	P -1	12.019; 12.068; 13.281 109.45; 105.58; 93.4	1726.1	Yam, Vivian Wing-Wah; Song, Hai-Ou; Chan, Steve Tak-Wah; Zhu, Nianyong; Tao, Chi-Hang; Wong, Keith Man-Chung; Wu, Li-Xin Synthesis, Characterization, Ion-Binding Properties, and Fluorescence Resonance Energy Transfer Behavior of Rhenium(I) Complexes Containing a Coumarin-Appended 2,2′-Bipyridine† The Journal of Physical Chemistry C, 2009, 113, 11674
1516438	CIF	C13 H13 N3 O3 S	C 1 2/c 1	29.3274; 6.97802; 16.074 90; 121.103; 90	2816.61	Tohnai, Norimitsu; Kurata, Mitsuru; Nakajima, Hiromi; Yamamoto, Atsushi; Hinoue, Tomoaki; Mizobe, Yuji; Hisaki, Ichiro; Miyata, Mikiji Effect of Steric Complementarity on Solid-State Optical Properties of Ternary CT Complexes: 4,4′-Biphenyldisulfonic Acid, Aliphatic Amines, and Tetracyanoquinodimethane† The Journal of Physical Chemistry C, 2009, 113, 11725
1516439	CIF	C14 H13 N3 O3 S	C 1 2/c 1	29.7095; 7.07728; 16.852 90; 122.519; 90	2987.79	Tohnai, Norimitsu; Kurata, Mitsuru; Nakajima, Hiromi; Yamamoto, Atsushi; Hinoue, Tomoaki; Mizobe, Yuji; Hisaki, Ichiro; Miyata, Mikiji Effect of Steric Complementarity on Solid-State Optical Properties of Ternary CT Complexes: 4,4′-Biphenyldisulfonic Acid, Aliphatic Amines, and Tetracyanoquinodimethane† The Journal of Physical Chemistry C, 2009, 113, 11725
1516440	CIF	C16 H18 N3 O3 S	C 1 2/c 1	30.9476; 6.97466; 17.6192 90; 121.616; 90	3238.63	Tohnai, Norimitsu; Kurata, Mitsuru; Nakajima, Hiromi; Yamamoto, Atsushi; Hinoue, Tomoaki; Mizobe, Yuji; Hisaki, Ichiro; Miyata, Mikiji Effect of Steric Complementarity on Solid-State Optical Properties of Ternary CT Complexes: 4,4′-Biphenyldisulfonic Acid, Aliphatic Amines, and Tetracyanoquinodimethane† The Journal of Physical Chemistry C, 2009, 113, 11725
1516441	CIF	C15 H13 N3 O3 S	P -1	7.0287; 8.6449; 13.1179 93.794; 99.168; 100.054	771.18	Tohnai, Norimitsu; Kurata, Mitsuru; Nakajima, Hiromi; Yamamoto, Atsushi; Hinoue, Tomoaki; Mizobe, Yuji; Hisaki, Ichiro; Miyata, Mikiji Effect of Steric Complementarity on Solid-State Optical Properties of Ternary CT Complexes: 4,4′-Biphenyldisulfonic Acid, Aliphatic Amines, and Tetracyanoquinodimethane† The Journal of Physical Chemistry C, 2009, 113, 11725
1516442	CIF	C48 H39 B Cu F4 N3 O P2 S	P -1	12.3282; 12.4191; 17.625 70.167; 78; 68.64	2353.1	Zhang, Liming; Li, Bin; Su, Zhongmin Realization of High-Energy Emission from [Cu(N−N)(P−P)]+Complexes for Organic Light-Emitting Diode Applications The Journal of Physical Chemistry C, 2009, 113, 13968
1516443	CIF	C48 H37 B Cu F4 N3 O P2	P 1 21/n 1	11.5602; 15.13; 25.815 90; 96.195; 90	4488.8	Zhang, Liming; Li, Bin; Su, Zhongmin Realization of High-Energy Emission from [Cu(N−N)(P−P)]+Complexes for Organic Light-Emitting Diode Applications The Journal of Physical Chemistry C, 2009, 113, 13968
1516444	CIF	C10 H38 Cl3 La O15	P 21 21 21	10.7084; 15.3419; 15.984 90; 90; 90	2626	Lindqvist-Reis, Patric; Walther, Clemens; Klenze, Reinhardt; Edelstein, Norman M. Optical Spectra and Crystal-Field Levels of [Cm(H2O)9]3+Ions withC3hSymmetry in Isotypic Rare-Earth Triflate and Ethyl Sulfate Salts The Journal of Physical Chemistry C, 2009, 113, 449
1516445	CIF	C96 H112 Cl6 Cu3 N24 O23.6	P -1	9.1548; 14.876; 22.3887 78.557; 84.283; 81.915	2950.64	Piepenbrock, Marc-Oliver M.; Clarke, Nigel; Steed, Jonathan W. Metal Ion and Anion-Based “Tuning” of a Supramolecular Metallogel† Langmuir, 2009, 25, 8451
1516446	CIF	C50 H68 Cu N14 O14	P -1	8.9533; 9.5321; 16.993 76.234; 86.011; 84.48	1400.4	Piepenbrock, Marc-Oliver M.; Clarke, Nigel; Steed, Jonathan W. Metal Ion and Anion-Based “Tuning” of a Supramolecular Metallogel† Langmuir, 2009, 25, 8451
1516447	CIF	C15 H10 Cl2 N4 O2	P -1	6.9301; 7.9168; 14.3648 101.341; 101.8; 92.392	753.63	Wackerly, Jay Wm.; Meyer, Joseph M.; Crannell, W. Christian; King, Sarah B.; Katz, Jeffrey L. Selective Synthesis of Poly(m-phenylene oxides) over Oxacalixarenes Macromolecules, 2009, 42, 8181
1516448	CIF	C15 H10 Cl2 N4 O2	C 1 2/c 1	16.219; 14.7254; 6.6795 90; 106.412; 90	1530.3	Wackerly, Jay Wm.; Meyer, Joseph M.; Crannell, W. Christian; King, Sarah B.; Katz, Jeffrey L. Selective Synthesis of Poly(m-phenylene oxides) over Oxacalixarenes Macromolecules, 2009, 42, 8181
1516449	CIF	C27 H38 B F4 N O0.5 P Rh	P -1	9.4341; 9.8954; 14.835 92.365; 107.922; 95.181	1308.84	Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Bartolomé, M. Isabel; Vispe, Eugenio; Lahoz, Fernando J.; Oro, Luis A. Cationic Rhodium Complexes with Hemilabile Phosphine Ligands as Polymerization Catalyst for High Molecular Weight Stereoregular Poly(phenylacetylene) Macromolecules, 2009, 42, 8146
1516450	CIF	C30 H29 B Cl3 F8 N P Rh	P 1 21/n 1	12.355; 19.72; 12.934 90; 93.83; 90	3144.2	Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Bartolomé, M. Isabel; Vispe, Eugenio; Lahoz, Fernando J.; Oro, Luis A. Cationic Rhodium Complexes with Hemilabile Phosphine Ligands as Polymerization Catalyst for High Molecular Weight Stereoregular Poly(phenylacetylene) Macromolecules, 2009, 42, 8146
1516451	CIF	C42 H58 N2 O2 Si2	C 1 c 1	26.914; 9.765; 16.289 90; 109.311; 90	4040.1	Salata, Michael R.; Marks, Tobin J. Catalyst Nuclearity Effects in Olefin Polymerization. Enhanced Activity and Comonomer Enchainment in Ethylene + Olefin Copolymerizations Mediated by Bimetallic Group 4 Phenoxyiminato Catalysts Macromolecules, 2009, 42, 1920
1516452	CIF	C36 H42 N2 O2	P 1 21/c 1	10.0592; 23.0731; 13.9928 90; 109.435; 90	3062.6	Salata, Michael R.; Marks, Tobin J. Catalyst Nuclearity Effects in Olefin Polymerization. Enhanced Activity and Comonomer Enchainment in Ethylene + Olefin Copolymerizations Mediated by Bimetallic Group 4 Phenoxyiminato Catalysts Macromolecules, 2009, 42, 1920
1516453	CIF	C48 H50 N8 O5	P c c n	30.312; 20.567; 6.777 90; 90; 90	4225	Ono, Katsuhiko; Tsukamoto, Kenichi; Hosokawa, Ryohei; Kato, Masaki; Suganuma, Motohiro; Tomura, Masaaki; Sako, Katsuya; Taga, Keijiro; Saito, Katsuhiro A linear chain of water molecules accommodated in a macrocyclic nanotube channel. Nano letters, 2009, 9, 122-125
1516456	CIF	Ca3 Cl2 O4 Si	P 1 21/c 1	5.912339; 10.201282; 10.988655 90; 90.3422; 90	662.752	Kim, Tae-Gon; Kim, Taehyung; Kim, Jaegyeom; Kim, Seung-Joo; Im, Seoung-Jae Interplay between Crystal Structure and Photoluminescence Properties of β-Ca3SiO4Cl2:Eu2+ The Journal of Physical Chemistry C, 2014, 118, 12428
1516457	CIF	C14 H19 N O2 S	P 1 21 1	7.3662; 17.2624; 11.3119 90; 107.957; 90	1368.33	Hirner, Sebastian; Kolb, Andreas; Westmeier, Johannes; Gebhardt, Sandra; Middel, Stephen; Harms, Klaus; von Zezschwitz, Paultheo Rhodium-catalyzed enantioselective addition of organoaluminum reagents to N-tosyl ketimines. Organic letters, 2014, 16, 3162-3165
1516458	CIF	C15 H21 N O2 S	P 21 21 21	7.6766; 17.0877; 22.6809 90; 90; 90	2975.2	Hirner, Sebastian; Kolb, Andreas; Westmeier, Johannes; Gebhardt, Sandra; Middel, Stephen; Harms, Klaus; von Zezschwitz, Paultheo Rhodium-catalyzed enantioselective addition of organoaluminum reagents to N-tosyl ketimines. Organic letters, 2014, 16, 3162-3165
1516459	CIF	C19 H21 N O2 S	P 21 21 21	9.7947; 9.9666; 16.9986 90; 90; 90	1659.4	Hirner, Sebastian; Kolb, Andreas; Westmeier, Johannes; Gebhardt, Sandra; Middel, Stephen; Harms, Klaus; von Zezschwitz, Paultheo Rhodium-catalyzed enantioselective addition of organoaluminum reagents to N-tosyl ketimines. Organic letters, 2014, 16, 3162-3165
1516460	CIF	C15 H23 N O2 S	P 1 21 1	10.2019; 13.2716; 11.3946 90; 100.893; 90	1515	Hirner, Sebastian; Kolb, Andreas; Westmeier, Johannes; Gebhardt, Sandra; Middel, Stephen; Harms, Klaus; von Zezschwitz, Paultheo Rhodium-catalyzed enantioselective addition of organoaluminum reagents to N-tosyl ketimines. Organic letters, 2014, 16, 3162-3165
1516461	CIF	C29 H23 N5 O2 S	P -1	9.4716; 10.8769; 11.9856 83.113; 83.385; 87.083	1216.8	Tokimizu, Yusuke; Oishi, Shinya; Fujii, Nobutaka; Ohno, Hiroaki Gold-Catalyzed Cascade Cyclization of (Azido)ynamides: An Efficient Strategy for the Construction of Indoloquinolines. Organic letters, 2014, 16, 3138-3141
1516462	CIF	C29 H22 N2 O2 S	P b c a	19.6725; 18.2791; 12.5149 90; 90; 90	4500.3	Tokimizu, Yusuke; Oishi, Shinya; Fujii, Nobutaka; Ohno, Hiroaki Gold-Catalyzed Cascade Cyclization of (Azido)ynamides: An Efficient Strategy for the Construction of Indoloquinolines. Organic letters, 2014, 16, 3138-3141
1516463	CIF	C140 H116 N12 O15 S20 Zn3	P -1	10.7122; 16.4862; 19.402 101.781; 102.522; 97.189	3222.6	Bill, Nathan L.; Ishida, Masatoshi; Kawashima, Yuki; Ohkubo, Kei; Sung, Young Mo; Lynch, Vincent M.; Lim, Jong Min; Kim, Dongho; Sessler, Jonathan L.; Fukuzumi, Shunichi Long-lived charge-separated states produced in supramolecular complexes between anionic and cationic porphyrins Chemical Science, 2014, 5, 3888
1516464	CIF	C26 H30 Cl N2 O4	C 1 2 1	21.651; 8.9952; 13.072 90; 92.662; 90	2543.1	Xu, Jianfeng; Mou, Chengli; Zhu, Tingshun; Song, Bao-An; Chi, Yonggui Robin N-heterocyclic carbene-catalyzed chemoselective cross-aza-benzoin reaction of enals with isatin-derived ketimines: access to chiral quaternary aminooxindoles. Organic letters, 2014, 16, 3272-3275
1516465	CIF	C65 H71 Cl4 N34 O29 Zn	P -1	17.6178; 18.0031; 18.3649 88.054; 64.192; 73.825	5010.6	Xiao, Xin; Sun, Nana; Qi, Dongdong; Jiang, Jianzhuang Unprecedented Cucurbituril-Based Ternary Host-Guest Supramolecular Polymers Mediated through Included Alkyl Chains Polymer Chemistry, 2014, 5, 5211-5217
1516466	CIF	C134 H142 Cl20 N68 O89 Zn4	P 1 2/n 1	23.2417; 17.5255; 30.5983 90; 108.234; 90	11837.5	Xiao, Xin; Sun, Nana; Qi, Dongdong; Jiang, Jianzhuang Unprecedented Cucurbituril-Based Ternary Host-Guest Supramolecular Polymers Mediated through Included Alkyl Chains Polymer Chemistry, 2014, 5, 5211-5217
1516467	CIF	C17 H12 N6 O3	P 1 21/c 1	14.3995; 12.2923; 17.5766 90; 92.766; 90	3107.49	Graham, Duncan; Fruk, Ljiljana; Ewen Smith, W. Detection of DNA probes using Diels Alder cycloaddition and SERRS The Analyst, 2003, 128, 692
1516468	CIF	C36 H44 K N4 O11.5	P -1	11.7592; 12.747; 13.3933 98.948; 100.21; 97.418	1926.2	Li, Chengjie; Ulrich, Markus; Liu, Xiujun; Wurst, Klaus; Müller, Thomas; Kräutler, Bernhard Blue transition metal complexes of a natural bilin-type chlorophyll catabolite Chemical Science, 2014, 5, 3388
1516469	CIF	C22 H34 N4 O4 Pd S	P 21 21 21	9.374; 14.5468; 19.7294 90; 90; 90	2690.33	Poveda, Ana; Alonso, Inés; Fernández-Ibáñez, M. Ángeles Experimental and computational studies on the mechanism of the Pd-catalyzed C(sp3)‒H γ-arylation of amino acid derivatives assisted by the 2-pyridylsulfonyl group Chemical Science, 2014, 5, 3873
1516470	CIF	C20 H26 O4	P 21 21 21	7.3028; 13.9746; 16.4665 90; 90; 90	1680.5	Chen, Shenxi; Zhang, Yang; Niu, Shubin; Liu, Xingzhong; Che, Yongsheng Cytotoxic Cleistanthane and Cassane Diterpenoids from the Entomogenous Fungus Paraconiothyrium hawaiiense. Journal of natural products, 2014, 77, 1513-1518
1516471	CIF	C20 H30 O5	P 21 21 21	7.2054; 8.0628; 31.8423 90; 90; 90	1849.9	Chen, Shenxi; Zhang, Yang; Niu, Shubin; Liu, Xingzhong; Che, Yongsheng Cytotoxic Cleistanthane and Cassane Diterpenoids from the Entomogenous Fungus Paraconiothyrium hawaiiense. Journal of natural products, 2014, 77, 1513-1518
1516472	CIF	C20 H14 O	P 1 21/c 1	5.584; 12.995; 19.423 90; 93.534; 90	1406.7	Ryerson, Joseph L.; Schrauben, Joel N.; Ferguson, Andrew J.; Sahoo, Subash Chandra; Naumov, Panče; Havlas, Zdenĕk; Michl, Josef; Nozik, Arthur J.; Johnson, Justin C. Two Thin Film Polymorphs of the Singlet Fission Compound 1,3-Diphenylisobenzofuran The Journal of Physical Chemistry C, 2014, 118, 12121
1516473	CIF	C20 H14 O	P 1 2/c 1	12.998; 5.59; 20.271 90; 106.215; 90	1414.3	Ryerson, Joseph L.; Schrauben, Joel N.; Ferguson, Andrew J.; Sahoo, Subash Chandra; Naumov, Panče; Havlas, Zdenĕk; Michl, Josef; Nozik, Arthur J.; Johnson, Justin C. Two Thin Film Polymorphs of the Singlet Fission Compound 1,3-Diphenylisobenzofuran The Journal of Physical Chemistry C, 2014, 118, 12121
1516474	CIF	C24 H43 N2 O Si Y	P 1 21/c 1	14.4575; 16.6903; 10.454 90; 95.093; 90	2512.6	Liu, Siqian; Du, Gaixia; He, Jianyun; Long, Yingyun; Zhang, Shaowen; Li, Xiaofang Cationic Tropidinyl Scandium Catalyst: A Perfectly Acceptable Substitute for Cationic Half-Sandwich Scandium Catalysts incis-1,4-Polymerization of Isoprene and Copolymerization with Norbornene Macromolecules, 2014, 47, 3567
1516475	CIF	C10 H17.5 N0.5 O0.5 Sc0.5 Si	P n m a	12.865; 16.159; 11.71 90; 90; 90	2434.3	Liu, Siqian; Du, Gaixia; He, Jianyun; Long, Yingyun; Zhang, Shaowen; Li, Xiaofang Cationic Tropidinyl Scandium Catalyst: A Perfectly Acceptable Substitute for Cationic Half-Sandwich Scandium Catalysts incis-1,4-Polymerization of Isoprene and Copolymerization with Norbornene Macromolecules, 2014, 47, 3567
1516476	CIF	C32 H62 Lu2 N2 O2 Si2	P n a 21	19.256; 10.164; 18.218 90; 90; 90	3565.6	Liu, Siqian; Du, Gaixia; He, Jianyun; Long, Yingyun; Zhang, Shaowen; Li, Xiaofang Cationic Tropidinyl Scandium Catalyst: A Perfectly Acceptable Substitute for Cationic Half-Sandwich Scandium Catalysts incis-1,4-Polymerization of Isoprene and Copolymerization with Norbornene Macromolecules, 2014, 47, 3567
1516477	CIF	C18 H18 Br N O4 S	P 1 21/c 1	12.50619; 11.55718; 12.58675 90; 97.3759; 90	1804.19	Medina, Florian; Besnard, Céline; Lacour, Jérôme One-Step Synthesis of Nitrogen-Containing Medium-Sized Rings via α-Imino Diazo Intermediates. Organic letters, 2014, 16, 3232-3235
1516478	CIF	C17 H16 Br N O4 S	P 1 21/a 1	12.4111; 11.2306; 12.7572 90; 98.363; 90	1759.24	Medina, Florian; Besnard, Céline; Lacour, Jérôme One-Step Synthesis of Nitrogen-Containing Medium-Sized Rings via α-Imino Diazo Intermediates. Organic letters, 2014, 16, 3232-3235
1516479	CIF	C9 H8 O4	P 1 21/c 1	11.233; 6.544; 11.231 90; 95.89; 90	821.2	Harrison, Andrew; Ibberson, Richard; Robb, Graeme; Whittaker, Gavin; Wilson, Chick; Youngson, Douglas In situ neutron diffraction studies of single crystals and powders during microwave irradiation Faraday Discussions, 2003, 122, 363-379
1516480	CIF	C9 H8 O4	P 1 21/c 1	11.233; 6.544; 11.231 90; 95.89; 90	821.2	Harrison, Andrew; Ibberson, Richard; Robb, Graeme; Whittaker, Gavin; Wilson, Chick; Youngson, Douglas In situ neutron diffraction studies of single crystals and powders during microwave irradiation Faraday Discussions, 2003, 122, 363-379
1516481	CIF	C9 H8 O4	P 1 21/c 1	11.233; 6.544; 11.231 90; 95.89; 90	821.2	Harrison, Andrew; Ibberson, Richard; Robb, Graeme; Whittaker, Gavin; Wilson, Chick; Youngson, Douglas In situ neutron diffraction studies of single crystals and powders during microwave irradiation Faraday Discussions, 2003, 122, 363-379
1516482	CIF	C9 H8 O4	P 1 21/c 1	11.233; 6.544; 11.231 90; 95.89; 90	821.2	Harrison, Andrew; Ibberson, Richard; Robb, Graeme; Whittaker, Gavin; Wilson, Chick; Youngson, Douglas In situ neutron diffraction studies of single crystals and powders during microwave irradiation Faraday Discussions, 2003, 122, 363-379
1516483	CIF	C28 H19 N O2	P 1 21/c 1	11.1602; 8.3306; 21.5276 90; 100.005; 90	1971.01	Reid, Gavin D.; Whittaker, Douglas J.; Roth, Wolfgang; Whitaker, Benjamin J.; Williamson, Matthew J. I.; Beddard, Godfrey S. Excited State Dynamics and Rapid Internal Conversion in a Stable Dipole Molecule Photochemical & Photobiological Sciences, 2003, 2, 585-590
1516484	CIF	C34 H46 N7 O8	P -1	11.154; 12.559; 14.72 73.76; 74.41; 82.1	1902.6	Darcos, Vincent; Griffith, Kirsten; Sallenave, Xavier; Desvergne, Jean-Pierre; Guyard-Duhayon, Carine; Hasenknopf, Bernold; Bassani, Dario M. Supramolecular control of [2 + 2] photodimerization via hydrogen bonding Photochemical & Photobiological Sciences, 2003, 2, 1152-1161
1516485	CIF	C20 H15 N O S	P 1 21/c 1	30.3283; 12.9666; 7.8988 90; 96.205; 90	3088.04	Pérez-Prieto, Julia; Galian, Raquel E.; Morant-Miñana, Maria C.; Miranda, Miguel A. Steady-state and time-resolved studies on the formation of skatolyl radicals photosensitized by 2-benzoylthiophene Photochemical & Photobiological Sciences, 2003, 2, 1200-1204
1516486	CIF	C56 H30 F22 S4	P -1	12.139; 13.875; 15.819 77.15; 83.416; 75.489	2509.9	Morimoto, Masakazu; Kobatake, Seiya; Irie, Masahiro Photochromism of diarylethenes in nanolayers of a single crystal Photochemical & Photobiological Sciences, 2003, 2, 1088-1094
1516487	CIF	C56 H30 F22 S4	P -1	11.737; 13.717; 15.352 76.844; 83.197; 75.445	2325	Morimoto, Masakazu; Kobatake, Seiya; Irie, Masahiro Photochromism of diarylethenes in nanolayers of a single crystal Photochemical & Photobiological Sciences, 2003, 2, 1088-1094
1516488	CIF	C28 H28 O5	P 1 21/n 1	17.2708; 5.714; 23.476 90; 98.234; 90	2292.9	Charette, André B.; Chong, Kenneth C. W.; Fournier, Jean-François; Patrick, Brian; Scheffer, John R. Asymmetric synthesis in a Norrish type II cleavage reaction induced by crystal chirality Photochemical & Photobiological Sciences, 2003, 2, 1052-1055
1516489	CIF	C27 H23 N O	P 1 21/c 1	10.872; 23.494; 24.378 90; 93.585; 90	6215	Yang, Jye-Shane; Wang, Chin-Min; Hwang, Chung-Yu; Liau, Kang-Ling; Chiou, Shih-Yi Origin of the N-methyl and N-phenyl substituent effects on the fluorescence vibronic structures of trans-4-aminostilbene and its derivatives in hexane Photochemical & Photobiological Sciences, 2003, 2, 1225-1231
1516490	CIF	C19 H14 O2	P b c a	26.9628; 15.3036; 6.9176 90; 90; 90	2854.39	Sundaryono, Agus; Nourmamode, Aziz; Gardrat, Christian; Grelier, Stéphane; Bravic, Georges; Chasseau, Daniel; Castellan, Alain Studies on the photochemistry of 1,7-diphenyl-1,6-heptadiene-3,5-dione, a non-phenolic curcuminoid model Photochemical & Photobiological Sciences, 2003, 2, 914-920
1516491	CIF	C6 H4 Cd N6 O2 Pt	F m -3 m	10.166; 10.166; 10.166 90; 90; 90	1050.6	Ware, Mike Prussian Blue: Artists' Pigment and Chemists' Sponge Journal of Chemical Education, 2008, 85, 612
1516492	CIF	C6 Cd N6 Pt	F m -3 m	10.166; 10.166; 10.166 90; 90; 90	1050.6	Ware, Mike Prussian Blue: Artists' Pigment and Chemists' Sponge Journal of Chemical Education, 2008, 85, 612
1516493	CIF	C20 H23 N O6	P 21 21 21	11.2062; 12.595; 12.8803 90; 90; 90	1818	Yan, Meng-Hong; Cheng, Pi; Jiang, Zhi-Yong; Ma, Yun-Bao; Zhang, Xue-Mei; Zhang, Feng-Xue; Yang, Liu-Meng; Zheng, Yong-Tang; Chen, Ji-Jun Periglaucines A-D, anti-HBV and -HIV-1 alkaloids from Pericampylus glaucus. Journal of natural products, 2008, 71, 760-763
1516498	CIF	C34 H28 N2 O4	P b c a	16.1351; 15.7795; 21.2316 90; 90; 90	5405.6	Frischmann, Peter D.; Jiang, Jian; Hui, Joseph K.-H.; Grzybowski, Joseph J.; MacLachlan, Mark J. Reversible-irreversible approach to Schiff base macrocycles: access to isomeric macrocycles with multiple salphen pockets. Organic letters, 2008, 10, 1255-1258
1516499	CIF	C38 H36 P2 S2	P 1 21/c 1	10.201; 19.08; 16.886 90; 98.7827; 90	3248	Furukawa, Shunsuke; Haga, Shunsuke; Kobayashi, Junji; Kawashima, Takayuki Synthesis of π-Extended Dibenzophospholes by Intramolecular Radical Cyclization and Their Properties. Organic letters, 2014, 16, 3228-3231
1516500	CIF	C38 H36 P2 S2	P -1	9.151; 12.814; 15.408 109.378; 91.446; 107.726	1607.4	Furukawa, Shunsuke; Haga, Shunsuke; Kobayashi, Junji; Kawashima, Takayuki Synthesis of π-Extended Dibenzophospholes by Intramolecular Radical Cyclization and Their Properties. Organic letters, 2014, 16, 3228-3231
1516501	CIF	C23 H23 N O6	P 21 21 21	7.4232; 16.138; 16.7378 90; 90; 90	2005.11	Xiao, You-Cai; Yue, Cai-Zhen; Chen, Peng-Qiao; Chen, Ying-Chun Asymmetric Dearomatic Diels-Alder Reactions of Diverse Heteroarenes via π-System Activation. Organic letters, 2014, 16, 3208-3211
1516502	CIF	C12.5 H17.5 Cl2 N2.5 O3 Ru S3	P 1 n 1	11.7724; 13.4968; 12.2285 90; 110.968; 90	1814.32	Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence Chemical Science, 2014, 5, 3883
1516503	CIF	C13 H18 Cl2 N2 O7 Ru S3	P 1 21/c 1	16.4668; 19.6645; 12.6551 90; 106.281; 90	3933.53	Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence Chemical Science, 2014, 5, 3883
1516504	CIF	C27 H22 F12 N6 O3 P2 Ru	P 1 21/c 1	14.059; 14.2401; 15.4559 90; 91.983; 90	3092.44	Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence Chemical Science, 2014, 5, 3883
1516505	CIF	C27 H22 Cl2 F6 N6 O2 P Ru	P 1 21/c 1	13.5677; 14.3521; 15.4809 90; 95.869; 90	2998.7	Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence Chemical Science, 2014, 5, 3883
1516506	CIF	C28 H24 Cl2 F6 N6 O3 P Ru	P b c n	14.1173; 15.5837; 28.1669 90; 90; 90	6196.71	Chan, Siu-Chung; England, Jason; Wieghardt, Karl; Wong, Chun-Yuen Trapping of the putative 1,2-dinitrosoarene intermediate of benzofuroxan tautomerization by coordination at ruthenium and exploration of its redox non-innocence Chemical Science, 2014, 5, 3883
1516507	CIF	C6 H10 Co La N6 O5	P 63/m	7.4597; 7.4597; 14.293 90; 90; 120	688.8	Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science, 2014, 5, 3409
1516508	CIF	C6 H8 Fe K La N6 O4	P 63/m	7.3829; 7.3829; 13.871 90; 90; 120	654.78	Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science, 2014, 5, 3409
1516509	CIF	C6 Fe K La N6	P -3 1 c	7.1852; 7.1852; 12.238 90; 90; 120	547.2	Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science, 2014, 5, 3409
1516510	CIF	C6 H9 Co N6 O4.5 Pr	C m c m	7.431; 12.815; 14.298 90; 90; 90	1362	Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science, 2014, 5, 3409
1516511	CIF	C6 H9 Fe N6 O4.5 Pr	C m c m	7.523; 13.117; 14.476 90; 90; 90	1428	Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science, 2014, 5, 3409
1516512	CIF	C6 H8 Co N6 O4 Sm	C m c m	7.375; 12.742; 13.653 90; 90; 90	1283	Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science, 2014, 5, 3409
1516513	CIF	C6 H8 Co Eu N6 O4	C m c m	7.3394; 12.75; 13.617 90; 90; 90	1274.2	Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science, 2014, 5, 3409
1516514	CIF	C6 H6 Fe Lu N6 Na O3	C m c m	7.242; 12.578; 13.361 90; 90; 90	1217.1	Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science, 2014, 5, 3409
1516515	CIF	C6 H8 Fe La Li N6 O4	P 63/m	7.2338; 7.2338; 14.2923 90; 90; 120	647.69	Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science, 2014, 5, 3409
1516516	CIF	C6 H6 Fe Li Lu N6 O3	C m c m	7.2309; 12.5358; 13.2519 90; 90; 90	1201.2	Duyker, S. G.; Halder, G. J.; Southon, P. D.; Price, D. J.; Edwards, A. J.; Peterson, V. K.; Kepert, C. J. Topotactic structural conversion and hydration-dependent thermal expansion in robust LnMIII(CN)6·nH2O and flexible ALnFeII(CN)6·nH2O frameworks (A = Li, Na, K; Ln = La‒Lu, Y; M = Co, Fe; 0 ≤ n ≤ 5) Chemical Science, 2014, 5, 3409
1516517	CIF	C15 H15 N O2	P 1 21/n 1	10.2481; 10.1664; 12.1731 90; 93.195; 90	1266.3	Zhang, Zhi-Jing; Quan, Xue-Jing; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui A Facile BPO-Mediated ortho-Hydroxylation and Benzoylation of N-Alkyl Anilines for Synthesis of 2-Benzamidophenols. Organic letters, 2014, 16, 3292-3295
1516518	CIF	C14 H13 N O2	P 1 21/c 1	8.226; 11.711; 13.239 90; 106.88; 90	1220.4	Zhang, Zhi-Jing; Quan, Xue-Jing; Ren, Zhi-Hui; Wang, Yao-Yu; Guan, Zheng-Hui A Facile BPO-Mediated ortho-Hydroxylation and Benzoylation of N-Alkyl Anilines for Synthesis of 2-Benzamidophenols. Organic letters, 2014, 16, 3292-3295
1516519	CIF	C16 H16 N2 O5	P 1 c 1	10.838; 11.225; 13.268 90; 107.879; 90	1536.2	Manin, Alex N.; Voronin, Alexander P.; Manin, Nikolay G.; Vener, Mikhail V.; Shishkina, Anastasia V.; Lermontov, Anatoly S.; Perlovich, German L. Salicylamide cocrystals: screening, crystal structure, sublimation thermodynamics, dissolution, and solid-state DFT calculations. The journal of physical chemistry. B, 2014, 118, 6803-6814
1516520	CIF	C27 H26 Cr F3 N4 O5	P 1 21/c 1	12.2189; 13.6109; 15.9826 90; 102.501; 90	2595.1	Elmas, Sait; Subhani, Muhammad A.; Harrer, Marcus; Leitner, Walter; Sundermeyer, Jörg; Müller, Thomas E. Highly active Cr(iii) catalysts for the reaction of CO2 with epoxides Catalysis Science & Technology, 2014, 4, 1652
1516521	CIF	C28 H33 Cl Cr N5 O4	P 1 21/n 1	9.8802; 14.1274; 19.4439 90; 94.197; 90	2706.73	Elmas, Sait; Subhani, Muhammad A.; Harrer, Marcus; Leitner, Walter; Sundermeyer, Jörg; Müller, Thomas E. Highly active Cr(iii) catalysts for the reaction of CO2 with epoxides Catalysis Science & Technology, 2014, 4, 1652
1516522	CIF	C26 H31 N O5	P 21 21 21	7.495; 10.4454; 35.197 90; 90; 90	2755.5	Letort, Aurélien; Aouzal, Rémi; Ma, Cong; Long, De-Liang; Prunet, Joëlle Highly efficient synthesis of the tricyclic core of taxol by cascade metathesis. Organic letters, 2014, 16, 3300-3303
1516523	CIF	C15 H18 N2 O2	P 1 21 1	6.546; 12.058; 8.846 90; 97.94; 90	691.5	Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko Electroreductive Coupling of Optically Active α,β-Unsaturated Carbonyl Compounds with Diaryl Ketones: Asymmetric Synthesis of 4,5,5-Trisubstituted γ-Butyrolactones. Organic letters, 2014, 16, 3348-3351
1516524	CIF	C24 H20 O2	P 21 21 21	8.9315; 9.1942; 21.867 90; 90; 90	1795.7	Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko Electroreductive Coupling of Optically Active α,β-Unsaturated Carbonyl Compounds with Diaryl Ketones: Asymmetric Synthesis of 4,5,5-Trisubstituted γ-Butyrolactones. Organic letters, 2014, 16, 3348-3351
1516525	CIF	C35 H34 N2 O3	P 21 21 21	8.284; 13.944; 23.978 90; 90; 90	2770	Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko Electroreductive Coupling of Optically Active α,β-Unsaturated Carbonyl Compounds with Diaryl Ketones: Asymmetric Synthesis of 4,5,5-Trisubstituted γ-Butyrolactones. Organic letters, 2014, 16, 3348-3351
1516526	CIF	C28 H30 N2 O3	P 1	6.63; 8.27; 22.07 89.6; 87.7; 80	1191	Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko Electroreductive Coupling of Optically Active α,β-Unsaturated Carbonyl Compounds with Diaryl Ketones: Asymmetric Synthesis of 4,5,5-Trisubstituted γ-Butyrolactones. Organic letters, 2014, 16, 3348-3351
1516527	CIF	C19 H22 N2 O4	P 1 21/c 1	7.297; 12.192; 19.971 90; 94.898; 90	1770.2	Patel, Pitambar; Chang, Sukbok N-substituted hydroxylamines as synthetically versatile amino sources in the iridium-catalyzed mild C-h amidation reaction. Organic letters, 2014, 16, 3328-3331
1516528	CIF	C26 H29 F3 Ir N O4	P 1 21/n 1	16.479; 8.855; 17.7803 90; 103.143; 90	2526.6	Patel, Pitambar; Chang, Sukbok N-substituted hydroxylamines as synthetically versatile amino sources in the iridium-catalyzed mild C-h amidation reaction. Organic letters, 2014, 16, 3328-3331
1516529	CIF	C20 H20 N2 O2	P 1 21/n 1	9.508; 10.4245; 17.1939 90; 98.397; 90	1685.92	Patel, Pitambar; Chang, Sukbok N-substituted hydroxylamines as synthetically versatile amino sources in the iridium-catalyzed mild C-h amidation reaction. Organic letters, 2014, 16, 3328-3331
1516530	CIF	C39 H55 F N3 Nb	P -1	10.795; 12.323; 13.68 79.363; 87.377; 88.428	1786.3	Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination Chemical Science, 2014, 5, 2517
1516531	CIF	C39 H53 F2 N3 Nb	P -1	10.8194; 12.3148; 13.7249 79.695; 87.396; 88.376	1797	Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination Chemical Science, 2014, 5, 2517
1516532	CIF	C39 H54 F2 N3 Nb	P -1	10.9151; 12.301; 13.7072 79.714; 87.243; 88.804	1808.6	Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination Chemical Science, 2014, 5, 2517
1516533	CIF	C39 H52 F4 N3 Nb	P 1 21/c 1	12.7898; 11.5223; 24.9612 90; 91.217; 90	3677.7	Gianetti, Thomas L.; Bergman, Robert G.; Arnold, John Carbon‒fluorine bond cleavage in fluoroarenes via a niobium(iii) imido complex: from stoichiometric to catalytic hydrodefluorination Chemical Science, 2014, 5, 2517
1516534	CIF	C30 H40 Cl2 Fe2 N6 O18	P -1	11.473; 12.9171; 14.4931 113.07; 100.094; 90.982	1936.74	Kodera, Masahito; Tsuji, Tomokazu; Yasunaga, Tomohiro; Kawahara, Yuka; Hirano, Tomoya; Hitomi, Yutaka; Nomura, Takashi; Ogura, Takashi; Kobayashi, Yoshio; Sajith, P. K.; Shiota, Yoshihito; Yoshizawa, Kazunari Roles of carboxylate donors in O‒O bond scission of peroxodi-iron(iii) to high-spin oxodi-iron(iv) with a new carboxylate-containing dinucleating ligand Chemical Science, 2014, 5, 2282
1516535	CIF	C32 H38 F6 Fe2 N6 O15 S2	P -1	11.5827; 13.4954; 14.5372 114.729; 99.954; 90.485	2024.6	Kodera, Masahito; Tsuji, Tomokazu; Yasunaga, Tomohiro; Kawahara, Yuka; Hirano, Tomoya; Hitomi, Yutaka; Nomura, Takashi; Ogura, Takashi; Kobayashi, Yoshio; Sajith, P. K.; Shiota, Yoshihito; Yoshizawa, Kazunari Roles of carboxylate donors in O–O bond scission of peroxodi-iron(iii) to high-spin oxodi-iron(iv) with a new carboxylate-containing dinucleating ligand Chemical Science, 2014, 5, 2282
1516536	CIF	C236 H212 N20 O66 S4 Zn16	P b a n :2	20.78; 34.908; 14.4254 90; 90; 90	10464	Mossine, Andrew V.; Mayhan, Collin M.; Fowler, Drew A.; Teat, Simon J.; Deakyne, Carol A.; Atwood, Jerry L. Zinc-seamed pyrogallol[4]arene dimers as structural components in a two-dimensional MOF Chemical Science, 2014, 5, 2297
1516537	CIF	C40 H60 Cr4 P4	I -4	11.9954; 11.9954; 13.9537 90; 90; 90	2007.79	Reisinger, Sabine; Bodensteiner, Michael; Pineda, Eufemio Moreno; McDouall, Joseph J. W.; Scheer, Manfred; Layfield, Richard A. Addition of pnictogen atoms to chromium(ii): synthesis, structure and magnetic properties of a chromium(iv) phosphide and a chromium(iii) arsenide Chemical Science, 2014, 5, 2443
1516538	CIF	C30 H45 As2 Cr3	P b c a	15.3898; 18.4053; 21.8004 90; 90; 90	6175.05	Reisinger, Sabine; Bodensteiner, Michael; Pineda, Eufemio Moreno; McDouall, Joseph J. W.; Scheer, Manfred; Layfield, Richard A. Addition of pnictogen atoms to chromium(ii): synthesis, structure and magnetic properties of a chromium(iv) phosphide and a chromium(iii) arsenide Chemical Science, 2014, 5, 2443
1516539	CIF	C18 H24 N3 O6 P Ru	P 1 21/n 1	14.595; 9.371; 15.859 90; 114.51; 90	1973.6	Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J. Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics Chemical Science, 2014, 5, 2536
1516540	CIF	C21 H31 N4 O5 P Ru	P 1 21/c 1	11.58624; 15.39855; 13.23391 90; 98.3744; 90	2335.9	Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J. Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics Chemical Science, 2014, 5, 2536
1516541	CIF	C50 H68 N8 O14 P2 Ru2	P -1	9.8881; 12.5811; 12.6829 72.028; 67.58; 67.069	1319.4	Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J. Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics Chemical Science, 2014, 5, 2536
1516542	CIF	C50 H62 N8 O11 P2 Ru2	P -1	13.7555; 14.6826; 16.8467 70.736; 76.491; 64.286	2877.47	Murray, Benjamin S.; Menin, Laure; Scopelliti, Rosario; Dyson, Paul J. Conformational control of anticancer activity: the application of arene-linked dinuclear ruthenium(ii) organometallics Chemical Science, 2014, 5, 2536
1516543	CIF	C19 H28 Cl Ir N2	P 1 21/c 1	14.111; 17.412; 15.429 90; 90.833; 90	3790.5	Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340
1516544	CIF	C18 H25 Cl Ir N S	P 1 21/n 1	7.6461; 8.621; 27.688 90; 92.184; 90	1823.8	Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340
1516545	CIF	C24 H29 Cl3 Ir N S	P 1 21/c 1	10.73; 14.462; 16.791 90; 104.557; 90	2521.9	Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340
1516546	CIF	C22 H29 Cl Ir N	P 1 21/n 1	12.207; 25.172; 13.887 90; 108.18; 90	4054	Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340
1516547	CIF	C20 H27 Cl Ir N	P 1 21/c 1	8.1332; 27.444; 17.333 90; 95.18; 90	3853.1	Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340
1516548	CIF	C18 H25 Cl N Rh S	P 1 21/n 1	7.5951; 8.5873; 28.051 90; 92.441; 90	1827.9	Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340
1516549	CIF	C24 H29 Cl3 N Rh S	P 1 21/c 1	10.631; 14.413; 16.681 90; 104.834; 90	2470.8	Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340
1516550	CIF	C22 H29 Cl N Rh	P 1 21/n 1	12.211; 25.326; 13.879 90; 108.751; 90	4064.4	Carr, Kevin J. T.; Davies, David L.; Macgregor, Stuart A.; Singh, Kuldip; Villa-Marcos, Barbara Metal control of selectivity in acetate-assisted C‒H bond activation: an experimental and computational study of heterocyclic, vinylic and phenylic C(sp2)‒H bonds at Ir and Rh Chemical Science, 2014, 5, 2340
1516551	CIF	C31 H40 B2 F8 Fe N6 O5	P -1	11.904; 12.224; 13.994 107.153; 110.035; 103.564	1695.5	Jeon, Ie-Rang; Park, Jesse G.; Haney, Chad R.; Harris, T. David Spin crossover iron(ii) complexes as PARACEST MRI thermometers Chemical Science, 2014, 5, 2461
1516552	CIF	C69.8 H92.54 B2 Cl8 F3.27 Ir N P2	P 1 21/c 1	13.2199; 34.9437; 18.4595 90; 105.914; 90	8200.57	Kumar, Amit; Johnson, Heather C.; Hooper, Thomas N.; Weller, Andrew S.; Algarra, Andrés G.; Macgregor, Stuart A. Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B·NH3 as probed by experiment and computation Chemical Science, 2014, 5, 2546
1516553	CIF	C112.5 H163 B2 F25 Ir2 P4	P 21 2 21	16.435; 17.3; 20.951 90; 90; 90	5957	Kumar, Amit; Johnson, Heather C.; Hooper, Thomas N.; Weller, Andrew S.; Algarra, Andrés G.; Macgregor, Stuart A. Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B·NH3 as probed by experiment and computation Chemical Science, 2014, 5, 2546
1516554	CIF	C70 H118 B4 Cl8 Ir N3 P2	P -1	12.7377; 12.8491; 25.1406 99.5231; 98.255; 95.4001	3986.57	Kumar, Amit; Johnson, Heather C.; Hooper, Thomas N.; Weller, Andrew S.; Algarra, Andrés G.; Macgregor, Stuart A. Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H3B·NH3 as probed by experiment and computation Chemical Science, 2014, 5, 2546
1516555	CIF	C15 H23 B Mn O3 P	P 63/m	16.5774; 16.5774; 10.5446 90; 90; 120	2509.54	Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science, 2014, 5, 2271
1516556	CIF	C18 H24 B Mn N2 O2	P 1 21/c 1	24.302; 7.8695; 21.291 90; 115.979; 90	3660.4	Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science, 2014, 5, 2271
1516557	CIF	C18 H24 B Mn N2 O2	P n a 21	21.1662; 7.9276; 21.8218 90; 90; 90	3661.6	Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science, 2014, 5, 2271
1516558	CIF	C18 H23 B Mn N O2	C 1 2/c 1	24.5671; 8.1978; 18.4064 90; 111.169; 90	3456.8	Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science, 2014, 5, 2271
1516559	CIF	C16 H22 B Mn N2 O2	P 1 21/c 1	14.4606; 12.5027; 18.2085 90; 93.815; 90	3284.7	Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science, 2014, 5, 2271
1516560	CIF	C76 H100 B4 Mn4 N8 O8	P 1 21/c 1	15.2676; 8.5852; 15.8554 90; 113.848; 90	1900.81	Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene–carbonyl coupling reactions Chemical Science, 2014, 5, 2271
1516561	CIF	C26 H32 B Mn N2 O3	P n m a	13.024; 9.225; 19.975 90; 90; 90	2400	Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene‒carbonyl coupling reactions Chemical Science, 2014, 5, 2271
1516562	CIF	C15 H29 B N2	P b c a	14.3661; 12.0848; 18.962 90; 90; 90	3292	Braunschweig, Holger; Kramer, Thomas; Radacki, Krzysztof; Shang, Rong; Siedler, Eva; Werner, Christine Isolation of the key intermediates of base-promoted borylene–carbonyl coupling reactions Chemical Science, 2014, 5, 2271
1516563	CIF	C14 H12 F N O2	P 1 21/c 1	17.7553; 4.9562; 13.1145 90; 95.52; 90	1148.71	Jin, Li-Mei; Lu, Hongjian; Cui, Yuan; Lizardi, Christopher L.; Arzua, Thiago N.; Wojtas, Lukasz; Cui, Xin; Zhang, X. Peter Selective Radical Amination of Aldehydic C(sp(2))-H Bonds with Fluoroaryl Azides via Co(II)-Based Metalloradical Catalysis: Synthesis of N-Fluoroaryl Amides from Aldehydes under Neutral and Nonoxidative Conditions. Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 2422-2427
1516564	CIF	C20 H15 F5 N2 O3	R -3 :H	24.8585; 24.8585; 16.8633 90; 90; 120	9024.5	Jin, Li-Mei; Lu, Hongjian; Cui, Yuan; Lizardi, Christopher L.; Arzua, Thiago N.; Wojtas, Lukasz; Cui, Xin; Zhang, X. Peter Selective Radical Amination of Aldehydic C(sp(2))-H Bonds with Fluoroaryl Azides via Co(II)-Based Metalloradical Catalysis: Synthesis of N-Fluoroaryl Amides from Aldehydes under Neutral and Nonoxidative Conditions. Chemical science (Royal Society of Chemistry : 2010), 2014, 5, 2422-2427
1516565	CIF	C52 H70 N O4 P	P 21 21 21	13.3371; 19.9237; 34.7236 90; 90; 90	9226.9	Zeng, Bi-Shun; Yu, Xinyi; Siu, Paul W.; Scheidt, Karl A. Catalytic enantioselective synthesis of 2-aryl-chromenes Chemical Science, 2014, 5, 2277
1516566	CIF	C60 H69 B Cl2 F4 N O4 P Pd	P 21 21 21	12.2225; 20.8872; 21.6966 90; 90; 90	5539.01	Zeng, Bi-Shun; Yu, Xinyi; Siu, Paul W.; Scheidt, Karl A. Catalytic enantioselective synthesis of 2-aryl-chromenes Chemical Science, 2014, 5, 2277
1516567	CIF	C22 H18 N4 O12 Zn2	P b a n	16.2647; 14.5206; 9.6475 90; 90; 90	2278.48	Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392
1516568	CIF	C22 H18 N4 O12 Zn2	I 4/m c m	15.25553; 15.25553; 19.3129 90; 90; 90	4494.71	Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392
1516569	CIF	C22 H18 N4 O12 Zn2	P 4/m m m	10.94325; 10.94325; 9.67577 90; 90; 90	1158.72	Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392
1516570	CIF	C22 H18 N4 O12 Zn2	P 4/m m m	10.90313; 10.90313; 9.649 90; 90; 90	1147.06	Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392
1516571	CIF	C34 H48 N6 O12 Zn2	I 4/m c m	15.0609; 15.0609; 19.2433 90; 90; 90	4365	Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392
1516572	CIF	C30 H24 N2 O8 Zn2	P 4/m b m	15.4195; 15.4195; 9.6416 90; 90; 90	2292.4	Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392
1516573	CIF	C22 H18 Br2 N2 O8 Zn2	P b a n	16.3684; 14.4237; 9.6406 90; 90; 90	2276.08	Henke, Sebastian; Li, Wei; Cheetham, Anthony K. Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study Chemical Science, 2014, 5, 2392
1516574	CIF	C22 H18 I N3 O4 S	P 21 21 21	7.7904; 14.7; 19.469 90; 90; 90	2229.6	Tripathi, Chandra Bhushan; Mukherjee, Santanu Catalytic enantioselective iodoaminocyclization of hydrazones. Organic letters, 2014, 16, 3368-3371
1516575	CIF	C79 H68 B2 F24 N O P2 Rh Si	P -1	16.6243; 16.8939; 17.7667 110.65; 107.187; 106.29	4026.5	Johnson, Heather C.; Torry-Harris, Rebecca; Ortega, Laura; Theron, Robin; McIndoe, J. Scott; Weller, Andrew S. Exploring the mechanism of the hydroboration of alkenes by amine‒boranes catalysed by [Rh(xantphos)]+ Catal. Sci. Technol., 2014, 4, 3486
1516576	CIF	C89 H77 B F24 O P3 Rh	P -1	12.9076; 17.803; 19.959 87.9991; 74.6948; 87.0039	4416.68	Johnson, Heather C.; Torry-Harris, Rebecca; Ortega, Laura; Theron, Robin; McIndoe, J. Scott; Weller, Andrew S. Exploring the mechanism of the hydroboration of alkenes by amine–boranes catalysed by [Rh(xantphos)]+ Catal. Sci. Technol., 2014, 4, 3486
1516577	CIF	Bi4 Co0.3 O11 V1.7	I 4/m m m	3.929; 3.929; 15.476 90; 90; 90	238.9	Muller, C.; Anne, M.; Bacmann, M.; Bonnet, M. Structural Studies of the Fast Oxygen Ion Conductor BICOVOX.15 by Single-Crystal Neutron Diffraction at Room Temperature Journal of Solid State Chemistry, 1998, 141, 241-247
1516578	CIF	Ba2 Cu2.92 O6 Y	P 4/m m m	3.864; 3.864; 11.782 90; 90; 90	175.91	Odier, Philippe; Gotor, Francisco J.; Pellerin, Nadia; Lobo, Ricardo P.S.M.; Dembinski, Kristof; Ayache, Jeanne; Noel, Henry; Potel, Michel; Chaminade, Jean Pierre; Collin, Gaston Copper deficiency in YBa2Cu3O7-x ceramics, textured and single crystals Materials Science and Engineering B, 1998, 52, 117-122
1516579	CIF	C22 H25 N2 O4 S2	P -1	6.6422; 8.0514; 20.8031 89.74; 87.881; 83.068	1103.64	Zhang, Jie; Shao, Ying; Wang, Hongxiang; Luo, Qiang; Chen, Jijun; Xu, Dongmei; Wan, Xiaobing Dual Roles of Sulfonyl Hydrazides: A Three-Component Reaction To Construct Fully Substituted Pyrazoles Using TBAI/TBHP. Organic letters, 2014, 16, 3312-3315
1516580	CIF	C24 H12 S2	P 1 21/c 1	12.0564; 12.1122; 12.1107 90; 110.407; 90	1657.5	Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C. Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties. Organic letters, 2014, 16, 3252-3255
1516581	CIF	C24 H12 Se4	P 1 21/c 1	12.7769; 20.4663; 16.3532 90; 109.347; 90	4034.8	Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C. Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties. Organic letters, 2014, 16, 3252-3255
1516582	CIF	C38 H26 N2	P 1 21/n 1	10.4127; 18.6669; 13.9771 90; 107.068; 90	2597.1	Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C. Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties. Organic letters, 2014, 16, 3252-3255
1516583	CIF	C24 H8 O2	P m m n :2	12.3385; 15.6948; 3.8193 90; 90; 90	739.61	Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C. Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties. Organic letters, 2014, 16, 3252-3255
1516584	CIF	C24 H12 Se2	P b c n	28.5952; 7.5369; 15.6922 90; 90; 90	3382	Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C. Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties. Organic letters, 2014, 16, 3252-3255
1516585	CIF	C36 H22 N2	C 1 2/c 1	18.0254; 10.3777; 12.614 90; 101.085; 90	2315.6	Xiong, Xiao-Dong; Deng, Chun-Lin; Peng, Xiao-Shui; Miao, Qian; Wong, Henry N. C. Heteroatom-bridged tetraphenylenes: synthesis, structures, and properties. Organic letters, 2014, 16, 3252-3255
1516586	CIF	C34 H45 Br N2 O6 Si	P -1	8.0482; 14.1277; 15.3665 99.073; 94.101; 91.448	1719.75	Han, Seo-Jung; Vogt, Florian; Krishnan, Shyam; May, Jeremy A.; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M. A diastereodivergent synthetic strategy for the syntheses of communesin f and perophoramidine. Organic letters, 2014, 16, 3316-3319
1516587	CIF	C22 H19 Br N2 O5	P 21 21 21	9.1581; 12.6857; 16.703 90; 90; 90	1940.5	Han, Seo-Jung; Vogt, Florian; Krishnan, Shyam; May, Jeremy A.; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M. A diastereodivergent synthetic strategy for the syntheses of communesin f and perophoramidine. Organic letters, 2014, 16, 3316-3319
1516588	CIF	C47 H73 N Si Th	P b c a	10.4251; 20.765; 44.289 90; 90; 90	9587.6	Ren, Wenshan; Zhou, Enwei; Fang, Bo; Zi, Guofu; Fang, De-Cai; Walter, Marc D. Si‒H addition followed by C‒H bond activation induced by a terminal thorium imido metallocene: a combined experimental and computational study Chemical Science, 2014, 5, 3165
1516589	CIF	C53 H75 N Si Th	P 1 21/c 1	16.578; 16.572; 17.515 90; 97.936; 90	4765.8	Ren, Wenshan; Zhou, Enwei; Fang, Bo; Zi, Guofu; Fang, De-Cai; Walter, Marc D. Si‒H addition followed by C‒H bond activation induced by a terminal thorium imido metallocene: a combined experimental and computational study Chemical Science, 2014, 5, 3165
1516590	CIF	C54 H87 N3 Th	P -1	10.436; 15.509; 20.314 92.787; 92.25; 109.072	3098.4	Ren, Wenshan; Zhou, Enwei; Fang, Bo; Zi, Guofu; Fang, De-Cai; Walter, Marc D. Si‒H addition followed by C‒H bond activation induced by a terminal thorium imido metallocene: a combined experimental and computational study Chemical Science, 2014, 5, 3165
1516591	CIF	C50 H62 Cl2 N8 O6 Zn2	P -1	13.4923; 13.5958; 15.0327 108.107; 104.82; 90.868	2520.35	Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide Polymer Chemistry, 2014, 5, 4875
1516592	CIF	C118 H116 Co4 N16 O13	P -1	11.7828; 14.8129; 17.4408 94.041; 107.638; 95.432	2872.13	Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide Polymer Chemistry, 2014, 5, 4875
1516593	CIF	C50 H62 Cl2 N8 Ni2 O6	P -1	12.0189; 14.7702; 14.7768 107.972; 96.642; 95.331	2455.4	Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide Polymer Chemistry, 2014, 5, 4875
1516594	CIF	C26 H28 N4 O	C 1 2/c 1	30.8673; 14.8514; 10.3727 90; 94.543; 90	4740.14	Li, Chi-Huan; Chuang, Hui-Ju; Li, Chen-Yu; Ko, Bao-Tsan; Lin, Chia-Her Bimetallic nickel and cobalt complexes as high-performance catalysts for copolymerization of carbon dioxide with cyclohexene oxide Polymer Chemistry, 2014, 5, 4875
1516595	CIF	C18 H26 O8	P 1 21 1	9.9116; 7.094; 26.0972 90; 94.539; 90	1829.21	Yurchenko, Anton N.; Smetanina, Olga F.; Kalinovsky, Anatoly I.; Pushilin, Michael A.; Glazunov, Valeriy P.; Khudyakova, Yuliya V.; Kirichuk, Natalya N.; Ermakova, Svetlana P.; Dyshlovoy, Sergey A.; Yurchenko, Ekaterina A.; Afiyatullov, Shamil Sh Oxirapentyns F-K from the Marine-Sediment-Derived Fungus Isaria felina KMM 4639. Journal of natural products, 2014, 77, 1321-1328
1516596	CIF	C19 H26 O6	P 21 21 21	9.1403; 12.3986; 15.0582 90; 90; 90	1706.5	Chen, Jian-Jun; Chen, Chao-Jun; Yao, Xiao-Jun; Jin, Xiao-Jie; Gao, Kun Eremophilane-Type Sesquiterpenoids with Diverse Skeletons from Ligularia sagitta. Journal of natural products, 2014, 77, 1329-1335
1516597	CIF	C30 H25 Br N2 O3 S	P -1	10.8564; 14.3921; 18.5751 77.707; 84.454; 69.815	2660.74	Li, Long; Shu, Chao; Zhou, Bo; Yu, Yong-Fei; Xiao, Xin-Yu; Ye, Long-Wu Generation of gold carbenes in water: efficient intermolecular trapping of the α-oxo gold carbenoids by indoles and anilines Chemical Science, 2014, 5, 4057
1516598	CIF	C29 H27 Br N2 O3 S	P 1 21/n 1	12.621; 9.6352; 21.5566 90; 94.967; 90	2611.6	Li, Long; Shu, Chao; Zhou, Bo; Yu, Yong-Fei; Xiao, Xin-Yu; Ye, Long-Wu Generation of gold carbenes in water: efficient intermolecular trapping of the α-oxo gold carbenoids by indoles and anilines Chemical Science, 2014, 5, 4057
1516599	CIF	C24 H72 Cl2 In2 N4 Si8	P -1	8.9952; 12.0644; 23.969 80.621; 83.006; 66.929	2356.3	Yamashita, Yasuhiro; Saito, Yuki; Imaizumi, Takaki; Kobayashi, Shū A Lewis acid/metal amide hybrid as an efficient catalyst for carbon‒carbon bond formation Chem. Sci., 2014, 5, 3958
1516600	CIF	C33 H31 La O11	P -1	9.1684; 13.5704; 17.837 86.182; 87.019; 84.413	2201.5	Zhan, Chao; Ou, Sha; Zou, Chao; Zhao, Min; Wu, Chuan-De A luminescent mixed-lanthanide-organic framework sensor for decoding different volatile organic molecules. Analytical chemistry, 2014, 86, 6648-6653
1516601	CIF	C33 H31 Eu O11	P -1	9.1035; 13.6438; 17.732 87.62; 85.388; 86.422	2189.5	Zhan, Chao; Ou, Sha; Zou, Chao; Zhao, Min; Wu, Chuan-De A luminescent mixed-lanthanide-organic framework sensor for decoding different volatile organic molecules. Analytical chemistry, 2014, 86, 6648-6653
1516602	CIF	C33 H31 O11 Tb	P -1	9.1308; 13.6503; 17.7229 87.558; 85.382; 86.398	2195.86	Zhan, Chao; Ou, Sha; Zou, Chao; Zhao, Min; Wu, Chuan-De A luminescent mixed-lanthanide-organic framework sensor for decoding different volatile organic molecules. Analytical chemistry, 2014, 86, 6648-6653
1516603	CIF	C20 H20 B N O	P 1 21/c 1	23.009; 5.4564; 13.699 90; 103.943; 90	1669.2	Brown, Alec N.; Zakharov, Lev N.; Mikulas, Tanya; Dixon, David A.; Liu, Shih-Yuan Rhodium-Catalyzed B-H Activation of 1,2-Azaborines: Synthesis and Characterization of BN Isosteres of Stilbenes. Organic letters, 2014, 16, 3340-3343
1516604	CIF	C21 H24 O3	P 1 21/n 1	6.7908; 8.8056; 28.0909 90; 95.65; 90	1671.59	Lee, Jihoon; Panek, James S. Synthesis of Isochromene-Type Scaffolds via Single-Flask Diels-Alder-[4 + 2]-Annulation Sequence of a Silyl-Substituted Diene with Menadione. Organic letters, 2014, 16, 3320-3323
1516605	CIF	C25 H36 O5	I 1 2 1	13.9471; 8.2238; 19.675 90; 93.918; 90	2251.4	Williams, Russell B.; Du, Lin; Norman, Vanessa L.; Goering, Matt G.; O'Neil-Johnson, Mark; Woodbury, Scott; Albrecht, Matthew A.; Powell, Douglas R.; Cichewicz, Robert H.; Eldridge, Gary R.; Starks, Courtney M. Diterpenes from the Endangered Goldenrod Solidago shortii. Journal of natural products, 2014, 77, 1438-1444
1516606	CIF	C30 H24	P 1 21/n 1	10.58564; 6.27352; 16.626 90; 95.2712; 90	1099.45	Horino, Yoshikazu; Takahashi, Yu; Koketsu, Kaori; Abe, Hitoshi; Tsuge, Kiyoshi Practical and Convenient Synthesis of 1,6-Di- or 1,2,5,6-Tetra-arylhexa-1,3,5-trienes by the Dimerization of Pd(0)-Complexed Alkenylcarbenes Generated from π-Allylpalladium Intermediates. Organic letters, 2014, 16, 3184-3187
1516607	CIF	C11 H14 Br N O4 S	P 21 21 21	6.8751; 8.4919; 22.997 90; 90; 90	1342.6	Chen, Ya-Jing; Chen, Ya-Heng; Feng, Chen-Guo; Lin, Guo-Qiang Enantioselective Rhodium-Catalyzed Arylation of Cyclic N-Sulfamidate Alkylketimines: A New Access to Chiral β-Alkyl-β-aryl Amino Alcohols. Organic letters, 2014, 16, 3400-3403
1516608	CIF	C19 H19 O5 P	P 1 21/n 1	10.365; 11.372; 15.121 90; 96.49; 90	1770.9	Mi, Xia; Wang, Chenyang; Huang, Mengmeng; Zhang, Jianye; Wu, Yusheng; Wu, Yangjie Silver-Catalyzed Synthesis of 3-Phosphorated Coumarins via Radical Cyclization of Alkynoates and Dialkyl H-Phosphonates. Organic letters, 2014, 16, 3356-3359
1516609	CIF	C28 H18 F10 Ir N6 P	C 1 2/c 1	25.778; 15.759; 16.308 90; 105.245; 90	6392	Henwood, Adam F.; Evariste, Sloane; Slawin, Alexandra M. Z.; Zysman-Colman, Eli Rigid biimidazole ancillary ligands as an avenue to bright deep blue cationic iridium(iii) complexes. Faraday discussions, 2014, 174, 165-182
1516610	CIF	C36 H24 F10 Ir N6 P	P -1	9.1029; 12.8618; 15.38 69.58; 88.64; 71.81	1595.8	Henwood, Adam F.; Evariste, Sloane; Slawin, Alexandra M. Z.; Zysman-Colman, Eli Rigid biimidazole ancillary ligands as an avenue to bright deep blue cationic iridium(iii) complexes. Faraday discussions, 2014, 174, 165-182
1516611	CIF	C17 H14 N2 O3	P b c a	11.398; 15.357; 16.312 90; 90; 90	2855.2	Griesbeck, Axel G.; Kramer, Wolfgang; Heinrich, Thomas; Lex, Johann Photocyclization of N,N-phthaloylanthranilic amides coupled to ω-amino acids with increasing chain lengths Photochemical & Photobiological Sciences, 2002, 1, 237
1516612	CIF	C17 H11 F O2	P 1 c 1	6.879; 3.929; 23.459 90; 90.35; 90	634	Vishnumurthy, Kodumuru; Guru Row, Tayur N.; Venkatesan, Kailasam Photochemical behaviour of 4-styrylcoumarin polymorphs in the crystalline state Photochemical & Photobiological Sciences, 2002, 1, 799
1516613	CIF	C17 H12 O2	P 1 21/n 1	17.057; 8.229; 18.261 90; 96.33; 90	2547.5	Vishnumurthy, Kodumuru; Guru Row, Tayur N.; Venkatesan, Kailasam Photochemical behaviour of 4-styrylcoumarin polymorphs in the crystalline state Photochemical & Photobiological Sciences, 2002, 1, 799
1516614	CIF	C25 H29 N O2	P 1 21 1	8.464; 25.375; 10.154 90; 90.42; 90	2180.8	Hopfner, Matthias; Weiß, Harald; Meissner, Dieter; Heinemann, Frank W.; Kisch, Horst Semiconductor photocatalysis type B: synthesis of unsaturated α-amino esters from imines and olefins photocatalyzed by silica-supported cadmium sulfide Photochemical & Photobiological Sciences, 2002, 1, 696-703
1516615	CIF	C22 H25 N O2	P 1 21/n 1	14.56; 6.584; 20.801 90; 109.42; 90	1880.6	Hopfner, Matthias; Weiß, Harald; Meissner, Dieter; Heinemann, Frank W.; Kisch, Horst Semiconductor photocatalysis type B: synthesis of unsaturated α-amino esters from imines and olefins photocatalyzed by silica-supported cadmium sulfide Photochemical & Photobiological Sciences, 2002, 1, 696-703
1516616	CIF	C20 H23 N O2	P 1 21/n 1	9.801; 17.753; 10.068 90; 91.02; 90	1751.5	Hopfner, Matthias; Weiß, Harald; Meissner, Dieter; Heinemann, Frank W.; Kisch, Horst Semiconductor photocatalysis type B: synthesis of unsaturated α-amino esters from imines and olefins photocatalyzed by silica-supported cadmium sulfide Photochemical & Photobiological Sciences, 2002, 1, 696-703
1516617	CIF	C23 H25 N O2	P b c a	17.47; 11.704; 18.731 90; 90; 90	3829.9	Hopfner, Matthias; Weiß, Harald; Meissner, Dieter; Heinemann, Frank W.; Kisch, Horst Semiconductor photocatalysis type B: synthesis of unsaturated α-amino esters from imines and olefins photocatalyzed by silica-supported cadmium sulfide Photochemical & Photobiological Sciences, 2002, 1, 696-703
1516618	CIF	C35 H42.4 O13.2	P 21 21 21	11.2634; 15.8807; 21.1556 90; 90; 90	3784.1	Nothias-Scaglia, Louis-Félix; Retailleau, Pascal; Paolini, Julien; Pannecouque, Christophe; Neyts, Johan; Dumontet, Vincent; Roussi, Fanny; Leyssen, Pieter; Costa, Jean; Litaudon, Marc Jatrophane diterpenes as inhibitors of chikungunya virus replication: structure-activity relationship and discovery of a potent lead. Journal of natural products, 2014, 77, 1505-1512
1516619	CIF	C32 H44 O13	P 1 21 1	11.3186; 15.8687; 20.1536 90; 101.153; 90	3551.5	Nothias-Scaglia, Louis-Félix; Retailleau, Pascal; Paolini, Julien; Pannecouque, Christophe; Neyts, Johan; Dumontet, Vincent; Roussi, Fanny; Leyssen, Pieter; Costa, Jean; Litaudon, Marc Jatrophane diterpenes as inhibitors of chikungunya virus replication: structure-activity relationship and discovery of a potent lead. Journal of natural products, 2014, 77, 1505-1512
1516620	CIF	C30 H40 O13	P 21 21 21	12.868; 14.089; 17.366 90; 90; 90	3148.4	Nothias-Scaglia, Louis-Félix; Retailleau, Pascal; Paolini, Julien; Pannecouque, Christophe; Neyts, Johan; Dumontet, Vincent; Roussi, Fanny; Leyssen, Pieter; Costa, Jean; Litaudon, Marc Jatrophane diterpenes as inhibitors of chikungunya virus replication: structure-activity relationship and discovery of a potent lead. Journal of natural products, 2014, 77, 1505-1512
1516621	CIF	C33 H44 O13	P 21 21 21	13.373; 14.2814; 17.794 90; 90; 90	3398.4	Nothias-Scaglia, Louis-Félix; Retailleau, Pascal; Paolini, Julien; Pannecouque, Christophe; Neyts, Johan; Dumontet, Vincent; Roussi, Fanny; Leyssen, Pieter; Costa, Jean; Litaudon, Marc Jatrophane diterpenes as inhibitors of chikungunya virus replication: structure-activity relationship and discovery of a potent lead. Journal of natural products, 2014, 77, 1505-1512
1516622	CIF	C30 H28 O13	P 61 2 2	21.4292; 21.4292; 21.4162 90; 90; 120	8517	Ren, Yulin; Lantvit, Daniel D.; Deng, Youcai; Kanagasabai, Ragu; Gallucci, Judith C.; Ninh, Tran Ngoc; Chai, Hee-Byung; Soejarto, Djaja D.; Fuchs, James R.; Yalowich, Jack C.; Yu, Jianhua; Swanson, Steven M.; Kinghorn, A. Douglas Potent Cytotoxic Arylnaphthalene Lignan Lactones from Phyllanthus poilanei. Journal of natural products, 2014, 77, 1494-1504
1516623	CIF	C15 H6 F19 N O2	P -1	9.777; 10.96; 19.356 96.59; 100.37; 91.1	2025.1	O'Neal, Kristi L; Geib, Steven; Weber, Stephen G. Extraction of pyridines into fluorous solvents based on hydrogen bond complex formation with carboxylic acid receptors. Analytical chemistry, 2007, 79, 3117-3125