Crystallography Open Database
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Searching journal of publication like 'CrystEngComm' volume of publication is 28
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7251826 | CIF | C19 H24 N4 O5 | P -1 | 6.35274; 12.46903; 12.9378 97.3653; 103.862; 99.5009 | 966.17 | Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B. Modulating some photophysical properties of cocrystals CrystEngComm, 2026, 28, 2548-2559 |
| 7251832 | CIF | C20.5 H32 Cl2 O3 | P 21 21 21 | 12.2364; 15.9167; 21.4647 90; 90; 90 | 4180.5 | Gerasimova, Daria P.; Zakharychev, Dmitry V.; Saifina, Alina F.; Fayzullin, Robert R.; Lodochnikova, Olga A. Solvent-controlled stereoselective supramolecular synthesis: a case of diastereomeric dimers of 16-S-dihydrosteviol CrystEngComm, 2026, 28, 2995-3007 |
| 7251833 | CIF | C20 H32 O3 | P 21 21 21 | 12.0811; 14.7248; 20.1145 90; 90; 90 | 3578.2 | Gerasimova, Daria P.; Zakharychev, Dmitry V.; Saifina, Alina F.; Fayzullin, Robert R.; Lodochnikova, Olga A. Solvent-controlled stereoselective supramolecular synthesis: a case of diastereomeric dimers of 16-S-dihydrosteviol CrystEngComm, 2026, 28, 2995-3007 |
| 7251834 | CIF | C20 H32 O3 | I 1 2 1 | 21.58; 7.2369; 22.829 90; 98.164; 90 | 3529.1 | Gerasimova, Daria P.; Zakharychev, Dmitry V.; Saifina, Alina F.; Fayzullin, Robert R.; Lodochnikova, Olga A. Solvent-controlled stereoselective supramolecular synthesis: a case of diastereomeric dimers of 16-S-dihydrosteviol CrystEngComm, 2026, 28, 2995-3007 |
| 7251835 | CIF | C26 H47 O4.5 | P 1 21 1 | 14.5023; 7.7274; 22.8287 90; 92.427; 90 | 2556 | Gerasimova, Daria P.; Zakharychev, Dmitry V.; Saifina, Alina F.; Fayzullin, Robert R.; Lodochnikova, Olga A. Solvent-controlled stereoselective supramolecular synthesis: a case of diastereomeric dimers of 16-S-dihydrosteviol CrystEngComm, 2026, 28, 2995-3007 |
| 7251836 | CIF | C39 H250 Ge4 K4.5 N18.5 Na O223 S4 Ti12 W36 Zr4 | P -1 | 20.8839; 24.4799; 25.2479 88.621; 79.799; 70.358 | 11955.6 | Gong, Peijun; Li, Hailou; Zhao, Junwei; Yang, Guo-Yu Sulfate-modified TiIV–ZrIV-heterometallic germanotungstate used for catalyzing the Knoevenagel condensation reaction CrystEngComm, 2026, 28, 2979-2986 |
| 7251846 | CIF | C90 H80 Cu I Mn Mo6 N2 O26.75 P3 | P -1 | 12.183; 19.984; 20.262 83.979; 74.039; 75.983 | 4597.8 | Lei, Hui-Xue; Zhang, Ze-Xun; Li, Xin-Xiong; Wei, Qiao-Huang; Li, Hao-Hong; Zheng, Shou-Tian Regulating memristor performance of organic–inorganic hybrid polyoxometalates via counter cations CrystEngComm, 2026, 28, 2535-2541 |
| 7251847 | CIF | C96 H121 Cu I Mn Mo6 N17 O24 P2 | P -1 | 16.838; 17.871; 20.708 91.9; 100.406; 107.973 | 5803.3 | Lei, Hui-Xue; Zhang, Ze-Xun; Li, Xin-Xiong; Wei, Qiao-Huang; Li, Hao-Hong; Zheng, Shou-Tian Regulating memristor performance of organic–inorganic hybrid polyoxometalates via counter cations CrystEngComm, 2026, 28, 2535-2541 |
| 7251848 | CIF | C14 H16 Cl2 N4 O2 Zn | I 1 2/c 1 | 19.022; 4.845; 19.21 90; 103.52; 90 | 1721.4 | Zhang, Cheng-Fang; Zhong, Wen-He; Ma, Peng-Cheng; Zhao, Jia-Jia; Cheng, Ting; Chen, Li-Zhuang Halogen-modulated zinc-based 0D hybrids for high-efficiency blue light emission CrystEngComm, 2026, 28, 2845-2850 |
| 7251849 | CIF | C14 H16 Br2 N4 O2 Zn | C 1 2/c 1 | 23.863; 4.8456; 18.997 90; 127.809; 90 | 1735.5 | Zhang, Cheng-Fang; Zhong, Wen-He; Ma, Peng-Cheng; Zhao, Jia-Jia; Cheng, Ting; Chen, Li-Zhuang Halogen-modulated zinc-based 0D hybrids for high-efficiency blue light emission CrystEngComm, 2026, 28, 2845-2850 |
| 7251850 | CIF | C14 H14 I2 N2 O4 Zn | C 1 2/c 1 | 24.3146; 4.8922; 19.1901 90; 127.04; 90 | 1822.08 | Zhang, Cheng-Fang; Zhong, Wen-He; Ma, Peng-Cheng; Zhao, Jia-Jia; Cheng, Ting; Chen, Li-Zhuang Halogen-modulated zinc-based 0D hybrids for high-efficiency blue light emission CrystEngComm, 2026, 28, 2845-2850 |
| 7251867 | CIF | H8 O8 U | C 1 2/c 1 | 13.9991; 6.7481; 8.4848 90; 123.143; 90 | 671.13 | Benthin, Grant C.; Flester, Cameron J.; Forbes, Tori Z. Single crystal growth and structural characterization of synthetic U(vi) peroxide phases, studtite (UO2(O2)(H2O)2·2H2O) and metastudtite (UO2(O2)(H2O)2) CrystEngComm, 2026, 28, 2542-2547 |
| 7251868 | CIF | H4 O6 U | I m m m | 4.1946; 6.5143; 8.7339 90; 90; 90 | 238.65 | Benthin, Grant C.; Flester, Cameron J.; Forbes, Tori Z. Single crystal growth and structural characterization of synthetic U(vi) peroxide phases, studtite (UO2(O2)(H2O)2·2H2O) and metastudtite (UO2(O2)(H2O)2) CrystEngComm, 2026, 28, 2542-2547 |
| 7251869 | CIF | C21 H21 N O | P n a 21 | 10.2885; 16.1075; 9.9824 90; 90; 90 | 1654.3 | Raj, A. Dennis; Jeeva, M.; Purusothaman, R.; Potheher, I. Vetha Experimental measurements and density functional theory analysis of a novel Mannich base: structural and nonlinear optical perspectives CrystEngComm, 2026, 28, 3200-3209 |
| 7251889 | CIF | C54 H86 Cl2 N4 O14 Sn4 | P 21 21 21 | 15.1734; 16.391; 27.2785 90; 90; 90 | 6784.36 | Liu, Yang-Hong; Li, Hao; Lou, Hui-Ru; Chen, Er-Xia; Yang, Jin-Xia; Lin, Qipu Ligand modification on organotin-oxo clusters for enhanced third-order nonlinear optical response CrystEngComm, 2026, 28, 3298-3304 |
| 7251890 | CIF | C54 H86 Cl2 N4 O14 Sn4 | P 21 21 21 | 15.1563; 16.4024; 27.3019 90; 90; 90 | 6787.24 | Liu, Yang-Hong; Li, Hao; Lou, Hui-Ru; Chen, Er-Xia; Yang, Jin-Xia; Lin, Qipu Ligand modification on organotin-oxo clusters for enhanced third-order nonlinear optical response CrystEngComm, 2026, 28, 3298-3304 |
| 7251891 | CIF | C58 H77.97 Cl2 N4 O16 Sn4 | P 21 21 21 | 15.0434; 15.2331; 29.7454 90; 90; 90 | 6816.4 | Liu, Yang-Hong; Li, Hao; Lou, Hui-Ru; Chen, Er-Xia; Yang, Jin-Xia; Lin, Qipu Ligand modification on organotin-oxo clusters for enhanced third-order nonlinear optical response CrystEngComm, 2026, 28, 3298-3304 |
| 7251892 | CIF | C58 H78 Cl2 N4 O16 Sn4 | P 21 21 21 | 15.062; 15.1736; 29.6663 90; 90; 90 | 6780.1 | Liu, Yang-Hong; Li, Hao; Lou, Hui-Ru; Chen, Er-Xia; Yang, Jin-Xia; Lin, Qipu Ligand modification on organotin-oxo clusters for enhanced third-order nonlinear optical response CrystEngComm, 2026, 28, 3298-3304 |
| 7251893 | CIF | C12 H12 F N7 O4 | P 1 21/n 1 | 13.346; 7.489; 14.808 90; 107.83; 90 | 1409 | Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu Synthon-driven polymorphism in the favipiravir–theophylline cocrystal CrystEngComm, 2026, 28, 2721-2735 |
| 7251894 | CIF | C12 H12 F N7 O4 | P 1 21/c 1 | 7.228; 13.95; 14.273 90; 95.548; 90 | 1432.4 | Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu Synthon-driven polymorphism in the favipiravir–theophylline cocrystal CrystEngComm, 2026, 28, 2721-2735 |
| 7251895 | CIF | C21 H15 Co N5 O6 | C 1 2/c 1 | 11.5665; 14.0305; 13.2812 90; 109.648; 90 | 2029.8 | Cai, Meng-Tan; Singh, Akshay Pratap; Xu, Zi-Han; Shao, Dong; Zhang, Si-Chen; Yang, Jiong; Zhao, Bing-Shan; Singh, Saurabh Kumar A pentagonal bipyramidal cobalt(ii) single-ion magnet tape CrystEngComm, 2026, 28, 2905-2910 |
| 7251896 | CIF | C21 H15 Co N5 O6 | C 1 2/c 1 | 11.68; 14.068; 13.278 90; 109.88; 90 | 2051.7 | Cai, Meng-Tan; Singh, Akshay Pratap; Xu, Zi-Han; Shao, Dong; Zhang, Si-Chen; Yang, Jiong; Zhao, Bing-Shan; Singh, Saurabh Kumar A pentagonal bipyramidal cobalt(ii) single-ion magnet tape CrystEngComm, 2026, 28, 2905-2910 |
| 7251897 | CIF | C13 H18 N4 O | P -1 | 5.207; 11.084; 11.85 98.187; 97.794; 95.548 | 666 | Baskey, Manoj Kumar; Ghosh, Subhajit; Ahmed, Sabir; Dastidar, Parthasarathi Carbamoyl azide–drug conjugates as supramolecular gelators: design, synthesis, crystal structures and anti-melanoma property CrystEngComm, 2026, 28, 3210-3224 |
| 7251898 | CIF | C14 H11 Cl2 N5 O | P 1 21/c 1 | 14.073; 4.879; 22.444 90; 98.92; 90 | 1522.4 | Baskey, Manoj Kumar; Ghosh, Subhajit; Ahmed, Sabir; Dastidar, Parthasarathi Carbamoyl azide–drug conjugates as supramolecular gelators: design, synthesis, crystal structures and anti-melanoma property CrystEngComm, 2026, 28, 3210-3224 |
| 7251899 | CIF | C14 H14 N4 O2 | P 1 21/c 1 | 13.9443; 5.2071; 18.4952 90; 94.24; 90 | 1339.25 | Baskey, Manoj Kumar; Ghosh, Subhajit; Ahmed, Sabir; Dastidar, Parthasarathi Carbamoyl azide–drug conjugates as supramolecular gelators: design, synthesis, crystal structures and anti-melanoma property CrystEngComm, 2026, 28, 3210-3224 |
| 7251900 | CIF | C30 H23 F2 N8 O2 | P -1 | 6.516; 10.111; 21.318 91.568; 92.708; 103.339 | 1364 | Baskey, Manoj Kumar; Ghosh, Subhajit; Ahmed, Sabir; Dastidar, Parthasarathi Carbamoyl azide–drug conjugates as supramolecular gelators: design, synthesis, crystal structures and anti-melanoma property CrystEngComm, 2026, 28, 3210-3224 |
| 7251901 | CIF | C16 H14 N4 O2 | P 1 21/c 1 | 19.98; 4.808; 14.863 90; 91.84; 90 | 1427 | Baskey, Manoj Kumar; Ghosh, Subhajit; Ahmed, Sabir; Dastidar, Parthasarathi Carbamoyl azide–drug conjugates as supramolecular gelators: design, synthesis, crystal structures and anti-melanoma property CrystEngComm, 2026, 28, 3210-3224 |
| 7251902 | CIF | C34 H40 Cu N8 O12 | P -1 | 8.423; 9.815; 11.557 101.688; 101.38; 92.361 | 913.9 | Mondal, Dipayan; Mishra, Ashutosh Kumar Diverting metal coordination site in flavin–copper complexes for distinct nanoparticle synthesis CrystEngComm, 2026, 28, 3225-3231 |
| 7251903 | CIF | C14 H13 Cu0.5 N4 O5 | C 1 2/c 1 | 33.82; 10.7349; 8.6029 90; 91.611; 90 | 3122.1 | Mondal, Dipayan; Mishra, Ashutosh Kumar Diverting metal coordination site in flavin–copper complexes for distinct nanoparticle synthesis CrystEngComm, 2026, 28, 3225-3231 |
| 7251910 | CIF | C24 H14 | C 1 c 1 | 8.1104; 27.2387; 8.34 90; 116.276; 90 | 1652.07 | Yamamoto, Hikaru; Tsubakihara, Yoshichika; Sato-Tomita, Ayana; Jin, Mingoo Stepwise introduction of dipole blades into triptycenes: opening the variety of crystalline molecular packing modes CrystEngComm, 2026, 28, 3166-3170 |
| 7251911 | CIF | C24 H10 F4 | P 41 | 13.4142; 13.4142; 9.5889 90; 90; 90 | 1725.43 | Yamamoto, Hikaru; Tsubakihara, Yoshichika; Sato-Tomita, Ayana; Jin, Mingoo Stepwise introduction of dipole blades into triptycenes: opening the variety of crystalline molecular packing modes CrystEngComm, 2026, 28, 3166-3170 |
| 7251912 | CIF | C24 H10 F4 | P 43 | 13.5057; 13.5057; 9.658 90; 90; 90 | 1761.66 | Yamamoto, Hikaru; Tsubakihara, Yoshichika; Sato-Tomita, Ayana; Jin, Mingoo Stepwise introduction of dipole blades into triptycenes: opening the variety of crystalline molecular packing modes CrystEngComm, 2026, 28, 3166-3170 |
| 7251913 | CIF | C24 H12 F2 | P 1 21/c 1 | 8.2024; 32.5749; 13.2511 90; 101.794; 90 | 3465.85 | Yamamoto, Hikaru; Tsubakihara, Yoshichika; Sato-Tomita, Ayana; Jin, Mingoo Stepwise introduction of dipole blades into triptycenes: opening the variety of crystalline molecular packing modes CrystEngComm, 2026, 28, 3166-3170 |
| 7251914 | CIF | C30 H26 Br3 Ir N6 O2 | P n a 21 | 9.72848; 16.4054; 18.5653 90; 90; 90 | 2963.01 | Endo, Yusuke; Kondo, Mio; Nakamura, Tomoe; Hattori, Shingo; Sekine, Akiko; Kojo, Sosuke; Shinozaki, Kazuteru Structure and luminescence colour change of an iridium(iii) bis-terpyridine complex crystal triggered by water sorption/desorption CrystEngComm, 2026, 28, 3259-3266 |
| 7251915 | CIF | C30 H36 Br3 Ir N6 O7 | P -1 | 9.1535; 10.7988; 18.2428 76.4504; 88.342; 87.051 | 1750.47 | Endo, Yusuke; Kondo, Mio; Nakamura, Tomoe; Hattori, Shingo; Sekine, Akiko; Kojo, Sosuke; Shinozaki, Kazuteru Structure and luminescence colour change of an iridium(iii) bis-terpyridine complex crystal triggered by water sorption/desorption CrystEngComm, 2026, 28, 3259-3266 |
| 7251945 | CIF | C4 H9 N O | P 1 21/c 1 | 10.24; 6.055; 9.734 90; 108.636; 90 | 571.9 | Krivoshein, Arcadius V.; Fonari, Marina S.; Averkiev, Boris B.; Khrustalev, Victor N.; Sena, Victoria; Timofeeva, Tatiana V. Structural determinants of H-bonded layer and ribbon formation in crystals of α-, β-, and γ-substituted primary amides CrystEngComm, 2026, 28, 2648-2657 |
| 7251946 | CIF | C5 H11 N O | C 1 2/c 1 | 22.649; 6.262; 9.768 90; 100.597; 90 | 1361.7 | Krivoshein, Arcadius V.; Fonari, Marina S.; Averkiev, Boris B.; Khrustalev, Victor N.; Sena, Victoria; Timofeeva, Tatiana V. Structural determinants of H-bonded layer and ribbon formation in crystals of α-, β-, and γ-substituted primary amides CrystEngComm, 2026, 28, 2648-2657 |
| 7251947 | CIF | C10 H13 N O | P 1 21/c 1 | 14.598; 6.1587; 10.129 90; 105.121; 90 | 879.1 | Krivoshein, Arcadius V.; Fonari, Marina S.; Averkiev, Boris B.; Khrustalev, Victor N.; Sena, Victoria; Timofeeva, Tatiana V. Structural determinants of H-bonded layer and ribbon formation in crystals of α-, β-, and γ-substituted primary amides CrystEngComm, 2026, 28, 2648-2657 |
| 7251948 | CIF | C10 H13 N O | P 1 21/c 1 | 16.333; 6.118; 8.926 90; 90.79; 90 | 891.8 | Krivoshein, Arcadius V.; Fonari, Marina S.; Averkiev, Boris B.; Khrustalev, Victor N.; Sena, Victoria; Timofeeva, Tatiana V. Structural determinants of H-bonded layer and ribbon formation in crystals of α-, β-, and γ-substituted primary amides CrystEngComm, 2026, 28, 2648-2657 |
| 7251949 | CIF | C8 H17 N O | P -1 | 5.0331; 7.954; 12.55 98.921; 101.549; 99.419 | 476.4 | Krivoshein, Arcadius V.; Fonari, Marina S.; Averkiev, Boris B.; Khrustalev, Victor N.; Sena, Victoria; Timofeeva, Tatiana V. Structural determinants of H-bonded layer and ribbon formation in crystals of α-, β-, and γ-substituted primary amides CrystEngComm, 2026, 28, 2648-2657 |
| 7251950 | CIF | C8 H9 N O | C 1 2/c 1 | 19.433; 11.133; 27.951 90; 90.386; 90 | 6047 | Krivoshein, Arcadius V.; Fonari, Marina S.; Averkiev, Boris B.; Khrustalev, Victor N.; Sena, Victoria; Timofeeva, Tatiana V. Structural determinants of H-bonded layer and ribbon formation in crystals of α-, β-, and γ-substituted primary amides CrystEngComm, 2026, 28, 2648-2657 |
| 7251951 | CIF | C6 H12 O6 | P 1 21/c 1 | 8.1134; 9.4936; 10.4731 90; 103.067; 90 | 785.81 | Takashita, Tomoko; Takata, Ryunosuke; Aoe, Mizuki; Takeshita, Kei; Ishii, Tomohiko Complete structural and electronic comparison of chiral and racemic ketohexoses: hydrogen-bond network topology and interaction strength distribution CrystEngComm, 2026, 28, 3387-3395 |
| 7251966 | CIF | C48 H27 B2 Cl N6 O8 S | P b c a | 15.1673; 22.553; 24.122 90; 90; 90 | 8251.4 | He, Xinpeng; Li, Linkuo; Zhang, Qichun Single-crystals of B ← N based covalent organic polymers with dual photosensitive motifs for photocatalytic dye degradation CrystEngComm, 2026, 28, 3293-3297 |
| 7252069 | CIF | C6 H15 Br3 N4 O2 Zn | P 21 21 21 | 7.4884; 7.9533; 23.224 90; 90; 90 | 1383.2 | Cheng, Juan; Wang, Yingjie; Zhong, Qinglan; Zhou, Ziyu; Zeng, Hongmei; Zou, Guohong; Lin, Zhien Second-harmonic generation responses in low-dimensional metal bromides functionalized with l-arginine CrystEngComm, 2026, 28, 3041-3045 |
| 7252070 | CIF | C12 H28 Br4 Cd2 N8 O4 | P 1 21 1 | 8.63; 8.9276; 16.3743 90; 97.153; 90 | 1251.74 | Cheng, Juan; Wang, Yingjie; Zhong, Qinglan; Zhou, Ziyu; Zeng, Hongmei; Zou, Guohong; Lin, Zhien Second-harmonic generation responses in low-dimensional metal bromides functionalized with l-arginine CrystEngComm, 2026, 28, 3041-3045 |
| 7252071 | CIF | C12 H36 Br10 N8 O6 Pb3 | P 1 | 7.9037; 10.4272; 13.7246 110.671; 102.621; 96.771 | 1008.87 | Cheng, Juan; Wang, Yingjie; Zhong, Qinglan; Zhou, Ziyu; Zeng, Hongmei; Zou, Guohong; Lin, Zhien Second-harmonic generation responses in low-dimensional metal bromides functionalized with l-arginine CrystEngComm, 2026, 28, 3041-3045 |
| 7252072 | CIF | C42 H36 N2 O4 | P -1 | 11.8593; 15.2353; 16.0329 64.5256; 81.2254; 67.5368 | 2416.52 | Barton, Benita; Adam, Muhammad-Ameen; Hosten, Eric C. The host potential of N,N′-bis(9-(4-methoxyphenyl)-9H-xanthen-9-yl)ethane-1,2-diamine for xylene and ethylbenzene isomers, and its selectivity behaviour in mixed guest solutions CrystEngComm, 2026, 28, 3188-3199 |
| 7252073 | CIF | C58 H56 N2 O4 | P -1 | 8.6383; 9.2258; 15.8317 104.06; 91.052; 108.317 | 1155.74 | Barton, Benita; Adam, Muhammad-Ameen; Hosten, Eric C. The host potential of N,N′-bis(9-(4-methoxyphenyl)-9H-xanthen-9-yl)ethane-1,2-diamine for xylene and ethylbenzene isomers, and its selectivity behaviour in mixed guest solutions CrystEngComm, 2026, 28, 3188-3199 |
| 7252074 | CIF | C50 H46 N2 O4 | P 1 21/n 1 | 17.8696; 10.5775; 22.5364 90; 111.015; 90 | 3976.4 | Barton, Benita; Adam, Muhammad-Ameen; Hosten, Eric C. The host potential of N,N′-bis(9-(4-methoxyphenyl)-9H-xanthen-9-yl)ethane-1,2-diamine for xylene and ethylbenzene isomers, and its selectivity behaviour in mixed guest solutions CrystEngComm, 2026, 28, 3188-3199 |
| 7252075 | CIF | C50 H46 N2 O4 | P 1 21/n 1 | 18.206; 10.4572; 21.564 90; 109.528; 90 | 3869.3 | Barton, Benita; Adam, Muhammad-Ameen; Hosten, Eric C. The host potential of N,N′-bis(9-(4-methoxyphenyl)-9H-xanthen-9-yl)ethane-1,2-diamine for xylene and ethylbenzene isomers, and its selectivity behaviour in mixed guest solutions CrystEngComm, 2026, 28, 3188-3199 |
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