Crystallography Open Database

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7230176 CIFC27 H44 N4 O8 Si4P -17.1467; 8.3552; 30.714
94.797; 90.275; 98.677
1806.4Perju, Elena; Cuervo-Reyes, Eduardo; Shova, Sergiu; Opris, Dorina M.
Synthesis of novel cyclosiloxane monomers containing push‒pull moieties and their anionic ring opening polymerization
RSC Advances, 2018, 8, 7569
7230177 CIFC22 H26 N2 O5C 1 2 123.52; 5.994; 15.843
90; 112.574; 90
2062Wang, Hao; Eze, Peter M.; Höfert, Simon-Patrick; Janiak, Christoph; Hartmann, Rudolf; Okoye, Festus B. C.; Esimone, Charles O.; Orfali, Raha S.; Dai, Haofu; Liu, Zhen; Proksch, Peter
Substituted l-tryptophan-l-phenyllactic acid conjugates produced by an endophytic fungus Aspergillus aculeatus using an OSMAC approach
RSC Advances, 2018, 8, 7863
7230184 CIFC101 H97 Cl3 N16P -112.8967; 13.9278; 23.2246
91.563; 99.587; 95.136
4093.1Lone, Shabir H.; Jameel, Salman; Bhat, Muzzaffar A.; Lone, Rayees A.; Butcher, Ray J.; Bhat, Khursheed A.
Synthesis of an unusual quinazoline alkaloid: theoretical and experimental investigations of its structural, electronic, molecular and biological properties
RSC Advances, 2018, 8, 8259
7230189 CIFC41 H35 Cl7 N2 O6C 1 m 110.245; 25.069; 8.5267
90; 104.29; 90
2122.2Razzano, Vincenzo; Paolino, Marco; Reale, Annalisa; Giuliani, Germano; Donati, Alessandro; Giorgi, Gianluca; Artusi, Roberto; Caselli, Gianfranco; Visintin, Michela; Makovec, Francesco; Battiato, Salvatore; Samperi, Filippo; Villafiorita-Monteleone, Francesca; Botta, Chiara; Cappelli, Andrea
Poly-histidine grafting leading to fishbone-like architectures
RSC Advances, 2018, 8, 8638
7230190 CIFC20 H17 F3 N2 OP -17.203; 10.0784; 13.335
108.279; 92.593; 107.656
865.3Sharma, Nutan; Sharma, Pankaj; Bhagat, Sunita
Eco-friendly reactions in PEG-400: a highly efficient and green approach for stereoselective access to multisubstituted 3,4-dihydro-2(1H)-quinazolines using 2-aminobenzylamines
RSC Advances, 2018, 8, 8721
7230263 CIFC32 H22 S4P 1 21/c 110.4959; 23.8566; 10.3499
90; 106.471; 90
2485.2Tsubomoto, Yutaka; Hayashi, Satoko; Nakanishi, Waro; Mapp, Lucy K.; Coles, Simon J.
High-resolution X-ray diffraction determination of the electron density of 1-(8-PhSC10H6)SS(C10H6SPh-8′)-1′ with the QTAIM approach: evidence for S4 σ(4c‒6e) at the naphthalene peri-positions
RSC Advances, 2018, 8, 9651
7230264 CIFC12 H15 N O5P 21 21 215.6642; 9.5973; 22.6622
90; 90; 90
1231.94He, Feilong; Chen, Guanghui; Yang, Junxia; Liang, Guojuan; Deng, Ping; Xiong, Yan; Zhou, Hui
Catalytic enantioselective Henry reaction of α-keto esters, 2-acylpyridines and 2-acylpyridine N-oxides
RSC Advances, 2018, 8, 9414
7230265 CIFC25 H19 Fe NP 1 21/n 17.337; 10.4908; 23.2831
90; 95.626; 90
1783.49Mou, Rui-Qi; Zhao, Mei; Lv, Xue-Xin; Zhang, Sheng-Yan; Guo, Dian-Shun
An efficient and green synthesis of ferrocenyl-quinoline conjugates via a TsOH-catalyzed three-component reaction in water
RSC Advances, 2018, 8, 9555
7230266 CIFC26 H21 Fe NP 1 21/n 18.36603; 20.5582; 11.349
90; 107.835; 90
1858.12Mou, Rui-Qi; Zhao, Mei; Lv, Xue-Xin; Zhang, Sheng-Yan; Guo, Dian-Shun
An efficient and green synthesis of ferrocenyl-quinoline conjugates via a TsOH-catalyzed three-component reaction in water
RSC Advances, 2018, 8, 9555
7230300 CIFC32 H40 O9P 21 21 2111.491; 13.4946; 18.7471
90; 90; 90
2907.05Sun, Dong-Mei; An, Fa-Liang; Wei, Shan-Shan; Zhang, Yan-Qiu; Wang, Xiao-Bing; Luo, Jun; Kong, Ling-Yi
Cipadessains A‒K, eleven limonoids from the fruits of Cipadessa cinerascens
RSC Advances, 2018, 8, 10437
7230305 CIFC44 H34 N7 PtP 1 21/c 17.809; 19.125; 24.66
90; 90.42; 90
3683Zhang, Xiao-Peng; Wang, Li-Li; Zhang, Da-Shuai; Qi, Xiao-Wei; Shi, Zai-Feng; Lin, Qiang
Solvent-tuned charge-transfer properties of chiral Pt(ii) complex and TCNQ˙− anion adducts
RSC Advances, 2018, 8, 10756
7230306 CIFC26 H25 N6 O9 TbP -110.4848; 10.6394; 13.7737
109.254; 100.428; 108.162
1307.48Goel, Nidhi; Kumar, Naresh
A dual-functional luminescent Tb(iii) metal‒organic framework for the selective sensing of acetone and TNP in water
RSC Advances, 2018, 8, 10746
7230314 CIFC30 H20 O3 S3P -19.652; 11.432; 13.068
108.905; 98.795; 109.501
1229.6Fabrizi de Biani, Fabrizia; Reale, Annalisa; Razzano, Vincenzo; Paolino, Marco; Giuliani, Germano; Donati, Alessandro; Giorgi, Gianluca; Mróz, Wojciech; Piovani, Daniele; Botta, Chiara; Cappelli, Andrea
Electrochemical and optoelectronic properties of terthiophene- and bithiophene-based polybenzofulvene derivatives
RSC Advances, 2018, 8, 10836
7230382 CIFC8 H10 O7P 1 21/c 110.5437; 8.0245; 10.8487
90; 93.598; 90
916.08Tryznowski, M.; Świderska, A.
Novel high reactive bifunctional five- and six-membered bicyclic dicarbonate ‒ synthesis and characterisation
RSC Advances, 2018, 8, 11749
7230383 CIFC16 H21 F3 N O6 PP -19.2602; 9.472; 11.9414
107.154; 96.395; 95.55
985.29Cytlak, Tomasz; Skibińska, Monika; Kaczmarek, Patrycja; Kaźmierczak, Marcin; Rapp, Magdalena; Kubicki, Maciej; Koroniak, Henryk
Functionalization of α-hydroxyphosphonates as a convenient route to N-tosyl-α-aminophosphonates
RSC Advances, 2018, 8, 11957
7230384 CIFC27 H34 N O4 PP 41 21 218.3893; 18.3893; 15.9702
90; 90; 90
5400.6Cytlak, Tomasz; Skibińska, Monika; Kaczmarek, Patrycja; Kaźmierczak, Marcin; Rapp, Magdalena; Kubicki, Maciej; Koroniak, Henryk
Functionalization of α-hydroxyphosphonates as a convenient route to N-tosyl-α-aminophosphonates
RSC Advances, 2018, 8, 11957
7230385 CIFC22 H37 N2 O8 P SP -111.296; 12.0965; 12.4628
112.998; 110.653; 98.152
1387.42Cytlak, Tomasz; Skibińska, Monika; Kaczmarek, Patrycja; Kaźmierczak, Marcin; Rapp, Magdalena; Kubicki, Maciej; Koroniak, Henryk
Functionalization of α-hydroxyphosphonates as a convenient route to N-tosyl-α-aminophosphonates
RSC Advances, 2018, 8, 11957
7230386 CIFC24 H33 N2 O7 P SP -19.1196; 11.0522; 13.648
71.568; 77.69; 87.393
1274.7Cytlak, Tomasz; Skibińska, Monika; Kaczmarek, Patrycja; Kaźmierczak, Marcin; Rapp, Magdalena; Kubicki, Maciej; Koroniak, Henryk
Functionalization of α-hydroxyphosphonates as a convenient route to N-tosyl-α-aminophosphonates
RSC Advances, 2018, 8, 11957
7230387 CIFC22 H28 F3 N2 O5 P SP -19.4187; 11.5503; 25.4175
90.406; 99.189; 113.524
2495.13Cytlak, Tomasz; Skibińska, Monika; Kaczmarek, Patrycja; Kaźmierczak, Marcin; Rapp, Magdalena; Kubicki, Maciej; Koroniak, Henryk
Functionalization of α-hydroxyphosphonates as a convenient route to N-tosyl-α-aminophosphonates
RSC Advances, 2018, 8, 11957
7230388 CIFC16 H21 F3 N O6 PP -110.1589; 10.3309; 10.8732
108.225; 112.48; 90.483
990.8Cytlak, Tomasz; Skibińska, Monika; Kaczmarek, Patrycja; Kaźmierczak, Marcin; Rapp, Magdalena; Kubicki, Maciej; Koroniak, Henryk
Functionalization of α-hydroxyphosphonates as a convenient route to N-tosyl-α-aminophosphonates
RSC Advances, 2018, 8, 11957
7230389 CIFC36 H28 Br0.5 N3 O12P 1 21/a 112.854; 9.8269; 14.2696
90; 94.215; 90
1797.6Bakthadoss, Manickam; Mushaf, Mohammad
A distal vinyl shift (DVS) through quadruple domino reaction: synthesis of N-vinyl benzoheterocyclic scaffolds
RSC Advances, 2018, 8, 12152
7230390 CIFC19 H18 N O3P 21 21 217.534; 13.2552; 15.2014
90; 90; 90
1518.08Bakthadoss, Manickam; Mushaf, Mohammad
A distal vinyl shift (DVS) through quadruple domino reaction: synthesis of N-vinyl benzoheterocyclic scaffolds
RSC Advances, 2018, 8, 12152
7230404 CIFC76 H86 N6 O28 Tb4P 1 21/c 113.4681; 11.9193; 24.483
90; 95.984; 90
3908.8Qin, Yaru; Ge, Yu; Zhang, Shasha; Sun, Hao; Jing, Yu; Li, Yahong; Liu, Wei
A series of Ln4III clusters: Dy4 single molecule magnet and Tb4 multi-responsive luminescent sensor for Fe3+, CrO42−/Cr2O72− and 4-nitroaniline
RSC Advances, 2018, 8, 12641
7230405 CIFC76 H86 Gd4 N6 O28P 1 21/c 113.49; 11.9674; 24.506
90; 95.961; 90
3934.9Qin, Yaru; Ge, Yu; Zhang, Shasha; Sun, Hao; Jing, Yu; Li, Yahong; Liu, Wei
A series of Ln4III clusters: Dy4 single molecule magnet and Tb4 multi-responsive luminescent sensor for Fe3+, CrO42−/Cr2O72− and 4-nitroaniline
RSC Advances, 2018, 8, 12641
7230406 CIFC76 H86 Dy4 N6 O28P 1 21/c 113.457; 11.905; 24.5
90; 96.03; 90
3903.3Qin, Yaru; Ge, Yu; Zhang, Shasha; Sun, Hao; Jing, Yu; Li, Yahong; Liu, Wei
A series of Ln4III clusters: Dy4 single molecule magnet and Tb4 multi-responsive luminescent sensor for Fe3+, CrO42−/Cr2O72− and 4-nitroaniline
RSC Advances, 2018, 8, 12641
7230407 CIFC76 H86 Ho4 N6 O28P 1 21/c 113.4321; 11.848; 24.45
90; 96.123; 90
3868.9Qin, Yaru; Ge, Yu; Zhang, Shasha; Sun, Hao; Jing, Yu; Li, Yahong; Liu, Wei
A series of Ln4III clusters: Dy4 single molecule magnet and Tb4 multi-responsive luminescent sensor for Fe3+, CrO42−/Cr2O72− and 4-nitroaniline
RSC Advances, 2018, 8, 12641
7230408 CIFC76 H86 Er4 N6 O28P 1 21/c 113.4131; 11.8637; 24.458
90; 96.222; 90
3869.1Qin, Yaru; Ge, Yu; Zhang, Shasha; Sun, Hao; Jing, Yu; Li, Yahong; Liu, Wei
A series of Ln4III clusters: Dy4 single molecule magnet and Tb4 multi-responsive luminescent sensor for Fe3+, CrO42−/Cr2O72− and 4-nitroaniline
RSC Advances, 2018, 8, 12641
7230409 CIFC20 H16 N2P -19.7875; 10.5334; 15.8394
73.134; 82.652; 75.019
1507.1Jana, Sourav; Samanta, Sadhanendu; Bagdi, Avik K.; Shirinian, Valerii Z.; Hajra, Alakananda
Metal-free C‒H arylation of imidazoheterocycles with aryl hydrazines
RSC Advances, 2018, 8, 12360
7230410 CIFC25 H21 Cl2 N O2P 1 21 18.7539; 10.693; 11.5682
90; 102.694; 90
1056.4Liu, Fu-Jun; Sun, Tian-Tian; Yang, Yun-Gang; Huang, Chao; Chen, Xue-Bing
Divergent synthesis of dual 1,4-dihydropyridines with different substituted patterns from enaminones and aldehydes through domino reactions
RSC Advances, 2018, 8, 12635
7230411 CIFC60 H42 Cl4 F2 N2 SP -19.1294; 9.2735; 16.422
93.116; 97.317; 115.044
1240.2Yu, Chin-Yang; Hsu, Chia-Chieh; Weng, Hsi-Chen
Synthesis, characterization, aggregation-induced emission, solvatochromism and mechanochromism of fluorinated benzothiadiazole bonded to tetraphenylethenes
RSC Advances, 2018, 8, 12619
7230468 CIFC20 H21 Cl O4P -18.1328; 8.7088; 13.6692
85.976; 84.815; 74.343
927.35Tipduangta, Pratchaya; Takieddin, Khaled; Fábián, László; Belton, Peter; Qi, Sheng
Towards controlling the crystallisation behaviour of fenofibrate melt: triggers of crystallisation and polymorphic transformation
RSC Advances, 2018, 8, 13513
7230469 CIFC36 H28 N2P b c n14.7747; 11.8462; 13.9054
90; 90; 90
2433.78Xia, Zeming; Guo, Xiaoyu; Zhu, Yanpeng; Wang, Yonggen; Wang, Jiaobing
A julolidine-fused anthracene derivative: synthesis, photophysical properties, and oxidative dimerization
RSC Advances, 2018, 8, 13588
7230470 CIFC22 H18 Cl N2 Pd0.5P -16.7767; 10.2586; 13.5319
102.123; 98.442; 94.97
903.05Ocansey, Edward; Darkwa, James; Makhubela, Banothile C. E.
Synthesis, characterization and evaluation of bulky bis(pyrazolyl)palladium complexes in Suzuki‒Miyaura cross-coupling reactions
RSC Advances, 2018, 8, 13826
7230472 CIFC28 H32 Co3 N2 O22P 1 21/c 117.0967; 13.6362; 7.132
90; 97.993; 90
1646.6Gao, Wei; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, Qing-Yu
Four 3D coordination polymers based on layers with single syn‒anti carboxylate bridges: synthesis, structures, and magnetic properties
RSC Advances, 2018, 8, 14101
7230473 CIFC28 H32 N2 Ni3 O22P 1 21/c 116.6233; 13.4654; 7.1298
90; 100.442; 90
1569.5Gao, Wei; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, Qing-Yu
Four 3D coordination polymers based on layers with single syn‒anti carboxylate bridges: synthesis, structures, and magnetic properties
RSC Advances, 2018, 8, 14101
7230474 CIFC28 H32 N2 Ni3 O22P 1 21/c 116.699; 13.51; 7.1625
90; 100.626; 90
1588.2Gao, Wei; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, Qing-Yu
Four 3D coordination polymers based on layers with single syn‒anti carboxylate bridges: synthesis, structures, and magnetic properties
RSC Advances, 2018, 8, 14101
7230475 CIFC106.64 H105.32 B2 Cl2.66 F4 N9.34P -19.7204; 12.3536; 20.3225
79.87; 85.941; 74.901
2318.59Uno, Hidemitsu; Honda, Takayuki; Kitatsuka, Manami; Hiraoka, Shogo; Mori, Shigeki; Takase, Masayoshi; Okujima, Tetsuo; Nakae, Takahiro
Benzene-fused bis(acenaphthoBODIPY)s, stable near-infrared-selective dyes
RSC Advances, 2018, 8, 14072
7230476 CIFC88 H100 B2 F4 N4C 1 2/c 140.901; 9.5734; 23.3784
90; 109.513; 90
8628.3Uno, Hidemitsu; Honda, Takayuki; Kitatsuka, Manami; Hiraoka, Shogo; Mori, Shigeki; Takase, Masayoshi; Okujima, Tetsuo; Nakae, Takahiro
Benzene-fused bis(acenaphthoBODIPY)s, stable near-infrared-selective dyes
RSC Advances, 2018, 8, 14072
7230477 CIFC106 H130 B2 Cl6 F4 N4 O10P 1 21 118.82; 9.636; 29.019
90; 99.313; 90
5193Uno, Hidemitsu; Honda, Takayuki; Kitatsuka, Manami; Hiraoka, Shogo; Mori, Shigeki; Takase, Masayoshi; Okujima, Tetsuo; Nakae, Takahiro
Benzene-fused bis(acenaphthoBODIPY)s, stable near-infrared-selective dyes
RSC Advances, 2018, 8, 14072
7230478 CIFC100 H114 B2 F4 N6 O8P -19.7965; 15.1276; 18.8622
67.575; 82.999; 89.724
2562Uno, Hidemitsu; Honda, Takayuki; Kitatsuka, Manami; Hiraoka, Shogo; Mori, Shigeki; Takase, Masayoshi; Okujima, Tetsuo; Nakae, Takahiro
Benzene-fused bis(acenaphthoBODIPY)s, stable near-infrared-selective dyes
RSC Advances, 2018, 8, 14072
7230479 CIFC92 H100.75 B1.25 F2.5 N4 O10P -114.448; 16.3453; 17.0276
96.286; 100.811; 92.31
3918.4Uno, Hidemitsu; Honda, Takayuki; Kitatsuka, Manami; Hiraoka, Shogo; Mori, Shigeki; Takase, Masayoshi; Okujima, Tetsuo; Nakae, Takahiro
Benzene-fused bis(acenaphthoBODIPY)s, stable near-infrared-selective dyes
RSC Advances, 2018, 8, 14072
7230480 CIFC90 H104 B2 F4 N4P -115.0241; 16.7591; 20.3153
67.913; 71.611; 81.904
4496.3Uno, Hidemitsu; Honda, Takayuki; Kitatsuka, Manami; Hiraoka, Shogo; Mori, Shigeki; Takase, Masayoshi; Okujima, Tetsuo; Nakae, Takahiro
Benzene-fused bis(acenaphthoBODIPY)s, stable near-infrared-selective dyes
RSC Advances, 2018, 8, 14072
7230485 CIFC28 H49 Fe O P3 SiP 1 21/n 113.567; 16.78; 13.9927
90; 106.554; 90
3053.46Zhang, Peng; Li, Xiaoyan; Qi, Xinghao; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter
Transfer hydrogenation of aldehydes catalyzed by silyl hydrido iron complexes bearing a [PSiP] pincer ligand
RSC Advances, 2018, 8, 14092
7230486 CIFC42 H48 Fe P4 SiP 1 21/c 111.7181; 18.9232; 35.1134
90; 91.084; 90
7784.8Zhang, Peng; Li, Xiaoyan; Qi, Xinghao; Sun, Hongjian; Fuhr, Olaf; Fenske, Dieter
Transfer hydrogenation of aldehydes catalyzed by silyl hydrido iron complexes bearing a [PSiP] pincer ligand
RSC Advances, 2018, 8, 14092
7230487 CIFC20 H14 Fe O2 S2P 21 21 215.86412; 10.14207; 27.2115
90; 90; 90
1618.39Schwartz, Pierre-Olivier; Förtsch, Sebastian; Mena-Osteritz, Elena; Weirather-Köstner, Dagmar; Wachtler, Mario; Bäuerle, Peter
Ferrocene-functionalized polyheteroacenes for the use as cathode active material in rechargeable batteries
RSC Advances, 2018, 8, 14193
7230488 CIFC31 H30 Br N3 O5P 1 21/c 112.0254; 15.9496; 16.7865
90; 115.616; 90
2903.2Barakat, Assem; Islam, Mohammad Shahidul; Ghawas, Hussien Mansur; Al-Majid, Abdullah Mohammed; El-Senduny, Fardous F.; Badria, Farid A.; Elshaier, Yaseen A. M. M.; Ghabbour, Hazem A.
Substituted spirooxindole derivatives as potent anticancer agents through inhibition of phosphodiesterase 1
RSC Advances, 2018, 8, 14335
7230489 CIFC17 H13 N OP 1 21/c 113.3388; 7.1295; 13.188
90; 97.232; 90
1244.19Barakat, Assem; Islam, Mohammad Shahidul; Ghawas, Hussien Mansur; Al-Majid, Abdullah Mohammed; El-Senduny, Fardous F.; Badria, Farid A.; Elshaier, Yaseen A. M. M.; Ghabbour, Hazem A.
Substituted spirooxindole derivatives as potent anticancer agents through inhibition of phosphodiesterase 1
RSC Advances, 2018, 8, 14335
7230497 CIFC3 N7 O3 RbP c a 2110.203; 9.936; 7.3949
90; 90; 90
749.7Han, Zhiyue; Jiang, Qi; Du, Zhiming; Zhang, Yupeng; Yang, Yuezhen
3-Nitro-4-(tetrazol-5-yl) furazan: theoretical calculations, synthesis and performance
RSC Advances, 2018, 8, 14589
7230498 CIFC3 Cs N7 O3P c a 2110.376; 10.128; 7.6675
90; 90; 90
805.8Han, Zhiyue; Jiang, Qi; Du, Zhiming; Zhang, Yupeng; Yang, Yuezhen
3-Nitro-4-(tetrazol-5-yl) furazan: theoretical calculations, synthesis and performance
RSC Advances, 2018, 8, 14589
7230501 CIFC24 H23 N O2P n m a14.7181; 10.2605; 12.0651
90; 90; 90
1822.01Kotha, Sambasivarao; Pulletikurti, Sunil
Synthesis of propellanes containing a bicyclo[2.2.2]octene unit via the Diels‒Alder reaction and ring-closing metathesis as key steps
RSC Advances, 2018, 8, 14906

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