Crystallography Open Database
Search results
Result: there are 246 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'Acta Crystallographica Section B' volume of publication is 76
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
2108645 | CIF HKL Paper | C21 H16 N2 O4 | B 1 21 1 | 15.5993; 49.062; 15.6099 90; 119.896; 90 | 10357 | Nespolo, Massimo; Smaha, Rebecca W.; Parkin, Sean Zero-obliquity twin lattice quasi-symmetry threefold twinning in 1-{(<i>R</i>)-1-[(3-oxo-2-isoindolinoyl)methyl]-2-propenyl}-5-methyl-2,3-indolinedione Acta Crystallographica Section B, 2020, 76 |
2108656 | CIF HKL | C29 H20 Br3 Mn O4 P2 S | C 1 2 1 | 15.366; 16.035; 14.327 90; 91.21; 90 | 3529.3 | Van der Maelen, Juan F.; Ceroni, Mario; Ruiz, Javier The X-ray constrained wavefunction of the [Mn(CO)~4~{(C~6~H~5~)~2~P-S-C(Br~2~)-P(C~6~H~5~)~2~}]Br complex: a theoretical and experimental study of dihalogen bonds and other noncovalent interactions Acta Crystallographica Section B, 2020, 76 |
2108615 | CIF HKL | Al3 K2 O16 P3 Si Zn | C 1 2/c 1 | 13.234; 13.121; 8.6581 90; 100.14; 90 | 1479.9 | Yakubovich, Olga; Kiriukhina, Galina; Shvanskaya, Larisa; Volkov, Anatoliy; Dimitrova, Olga Joint crystallization of KCuAl[PO~4~]~2~ and K(Al,Zn)~2~[(P,Si)O~4~]~2~: crystal chemistry and mechanism of formation of phosphate-silicate epitaxial heterostructure Acta Crystallographica Section B, 2020, 76 |
2108630 | CIF HKL | C22 H17 F4 N O | C 1 2/c 1 | 22.323; 13.499; 11.828 90; 98.459; 90 | 3525 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108631 | CIF HKL | C22 H17 F4 N O | C 1 2/c 1 | 36.448; 6.1171; 16.087 90; 102.193; 90 | 3505.8 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108634 | CIF HKL | C22 H17 F4 N O | C 1 2/c 1 | 36.079; 6.2372; 16.051 90; 104.627; 90 | 3494.9 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108646 | CIF HKL | Al3 B4 O12 Sm | C 1 2/c 1 | 7.2386; 9.3412; 11.1013 90; 103.224; 90 | 730.73 | Oreshonkov, A. S.; Shestakov, N. P.; Molokeev, M. S.; Aleksandrovsky, A. S.; Gudim, I. A.; Temerov, V. L.; Adichtchev, S. V.; Pugachev, A. M.; Nemtsev, I. V.; Pogoreltsev, E. I.; Denisenko, Y. G. Monoclinic SmAl~3~(BO~3~)~4~: synthesis, structural and spectroscopic properties Acta Crystallographica Section B, 2020, 76 |
2108658 | CIF HKL | C15 H18 N2 O4 | C 1 2/c 1 | 12.741; 7.7542; 29.3961 90; 98.6; 90 | 2871.57 | Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G. Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions Acta Crystallographica Section B, 2020, 76 |
2108682 | CIF HKL | C16 H12 O12 Zn2 | C 1 2/c 1 | 16.1681; 16.261; 13.7893 90; 110.508; 90 | 3395.6 | Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties Acta Crystallographica Section B, 2020, 76 |
2022053 | CIF | C6 H8 O2 | C 1 2/m 1 | 12.402; 6.47; 6.321 90; 93.69; 90 | 506.2 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108567 | CIF HKL | C7 H4 N Na O4.875 S | C 1 2/n 1 | 18.6212; 7.11555; 29.1642 90; 93.4511; 90 | 3857.25 | Rekis, Toms; Schönleber, Andreas; van Smaalen, Sander On the puzzling case of sodium saccharinate 1.875-hydrate: structure description in (3+1)-dimensional superspace Acta Crystallographica Section B, 2020, 76 |
2108570 | CIF HKL Paper | Cd86.45 Cu7.147 Ir7.318 | F -4 3 m | 19.9445; 19.9445; 19.9445 90; 90; 90 | 7933.6 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
2108571 | CIF HKL Paper | Cd86.366 Cu7.584 Ir6.698 | F -4 3 m | 19.922; 19.922; 19.922 90; 90; 90 | 7907 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
2108572 | CIF HKL Paper | Cd81.199 Cu15.659 Ir5.873 | F -4 3 m | 19.785; 19.785; 19.785 90; 90; 90 | 7744.8 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
2108573 | CIF HKL Paper | Cd81.64 Cu15.796 Ir5.306 | F -4 3 m | 19.8332; 19.8332; 19.8332 90; 90; 90 | 7801.5 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
2108574 | CIF HKL Paper | Cd80.144 Cu17.218 Ir5.638 | F -4 3 m | 19.7041; 19.7041; 19.7041 90; 90; 90 | 7650.1 | Ghanta, Sivaprasad; Roy, Nilanjan; Jana, Partha Pratim Crystal structures of two very similar 2×2×2 superstructures of γ-brass-related phases in ternary Ir‒Cd‒Cu system Acta Crystallographica Section B, 2020, 76 |
2108617 | CIF HKL | Ga105.3 Mg69.48 Ni48 | F d -3 m :2 | 19.8621; 19.8621; 19.8621 90; 90; 90 | 7835.7 | Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Rozdzynska-Kielbik, Beata; Cichowicz, Grzegorz; Cyranski, Michał K.; Chumak, Ihor; Ehrenberg, Helmut New cubic cluster phases in the Mg‒Ni‒Ga system Acta Crystallographica Section B, 2020, 76 |
2108618 | CIF HKL | Ga8 Mg24 Ni16 | F d -3 m :2 | 11.4886; 11.4886; 11.4886 90; 90; 90 | 1516.4 | Pavlyuk, Nazar; Dmytriv, Grygoriy; Pavlyuk, Volodymyr; Rozdzynska-Kielbik, Beata; Cichowicz, Grzegorz; Cyranski, Michał K.; Chumak, Ihor; Ehrenberg, Helmut New cubic cluster phases in the Mg‒Ni‒Ga system Acta Crystallographica Section B, 2020, 76 |
2108652 | CIF HKL | Cl Na | F m -3 m | 5.6035; 5.6035; 5.6035 90; 90; 90 | 175.95 | Tsirelson, Vladimir; Stash, Adam Orbital-free quantum crystallography: view on forces in crystals Acta Crystallographica Section B, 2020, 76 |
2108655 | CIF | F6 Ga K3 | F m -3 m | 8.6649; 8.6649; 8.6649 90; 90; 90 | 650.565 | King, Graham New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K~3~GaF~6~ Acta Crystallographica Section B, 2020, 76 |
2108722 | CIF HKL | B12 Yb | F m -3 m | 7.4598; 7.4598; 7.4598 90; 90; 90 | 415.128 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
2108723 | CIF HKL | B12 Yb | F m -3 m | 7.46; 7.46; 7.46 90; 90; 90 | 415.161 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
2108724 | CIF HKL | B12 Yb | F m -3 m | 7.4602; 7.4602; 7.4602 90; 90; 90 | 415.194 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
2108725 | CIF HKL | B12 Yb | F m -3 m | 7.4603; 7.4603; 7.4603 90; 90; 90 | 415.211 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
2108726 | CIF HKL | B12 Yb | F m -3 m | 7.4584; 7.4584; 7.4584 90; 90; 90 | 414.89 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
2108727 | CIF HKL | B12 Yb | F m -3 m | 7.4585; 7.4585; 7.4585 90; 90; 90 | 414.911 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
2108728 | CIF HKL | B12 Yb | F m -3 m | 7.4599; 7.4599; 7.4599 90; 90; 90 | 415.144 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
2108729 | CIF HKL | B12 Yb | F m -3 m | 7.4608; 7.4608; 7.4608 90; 90; 90 | 415.295 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
2108730 | CIF HKL | B12 Yb | F m -3 m | 7.4629; 7.4629; 7.4629 90; 90; 90 | 415.645 | Bolotina, Nadezhda; Khrykina, Olga; Azarevich, Andrey; Gavrilkin, Sergey; Sluchanko, Nikolay Fine details of crystal structure and atomic vibrations in YbB~12~ with a metal‒insulator transition Acta Crystallographica Section B, 2020, 76 |
2022073 | CIF | C1.25 H3 O | I -4 | 6.0867; 6.0867; 8.4958 90; 90; 90 | 314.752 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108612 | CIF HKL | Mo O6 Pr2 | I -4 c 2 | 5.696; 5.696; 31.6796 90; 90; 90 | 1027.83 | Voronkova, Valentina I.; Antipin, Alexander M.; Sorokin, Timofei A.; Novikova, Nataliya E.; Kharitonova, Elena P.; Orlova, Ekaterina I.; Kvartalov, Vladimir B.; Presniakov, Mikhail Yu.; Bondarenko, Vladimir I.; Vasiliev, Alexander L.; Sorokina, Nataliya I. Synthesis, structure and properties of layered Pr~2~MoO~6~-based oxymolybdates doped with Mg Acta Crystallographica Section B, 2020, 76 |
2108613 | CIF HKL | Mg0.026 Mo0.974 O5.94 Pr2 | I -4 c 2 | 5.6979; 5.6979; 31.7012 90; 90; 90 | 1029.21 | Voronkova, Valentina I.; Antipin, Alexander M.; Sorokin, Timofei A.; Novikova, Nataliya E.; Kharitonova, Elena P.; Orlova, Ekaterina I.; Kvartalov, Vladimir B.; Presniakov, Mikhail Yu.; Bondarenko, Vladimir I.; Vasiliev, Alexander L.; Sorokina, Nataliya I. Synthesis, structure and properties of layered Pr~2~MoO~6~-based oxymolybdates doped with Mg Acta Crystallographica Section B, 2020, 76 |
2108657 | CIF HKL Paper | C260 H264 N24 O40 | I 4 2 2 | 21.91; 21.91; 25.44 90; 90; 90 | 12212 | Gilski, Miroslaw; Bernatowicz, Piotr; Sakowicz, Arkadiusz; Szymański, Marek P.; Zalewska, Aldona; Szumna, Agnieszka; Jaskólski, Mariusz C~60~ in a peptidic cage: a case of symmetry mismatch studied by crystallography and solid-state NMR Acta Crystallographica Section B, 2020, 76 |
2108654 | CIF | F30 Ga5 K15 | I 4/m | 13.6088; 13.6088; 8.6764 90; 90; 90 | 1606.86 | King, Graham New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K~3~GaF~6~ Acta Crystallographica Section B, 2020, 76 |
2108653 | CIF | F120 Ga20 K60 | I 41/a :2 | 19.1124; 19.1124; 34.4165 90; 90; 90 | 12571.8 | King, Graham New examples of non-cooperative octahedral tilting in a double perovskite: phase transitions in K~3~GaF~6~ Acta Crystallographica Section B, 2020, 76 |
2108713 | CIF HKL | C6 H5 N7 O0.3 | I 41/a :2 | 28.1674; 28.1674; 4.15209 90; 90; 90 | 3294.28 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108714 | CIF | C6 H5 N7 O0.4 | I 41/a :2 | 28.1659; 28.1659; 4.12335 90; 90; 90 | 3271.13 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108715 | CIF HKL | C6 H5 N7 O0.4 | I 41/a :2 | 28.1314; 28.1314; 4.09378 90; 90; 90 | 3239.72 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108716 | CIF HKL | C6 H5 N7 O0.4 | I 41/a :2 | 28.1081; 28.1081; 4.06918 90; 90; 90 | 3214.92 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108717 | CIF HKL | C6 H5 N7 O0.4 | I 41/a :2 | 28.0757; 28.0757; 4.04859 90; 90; 90 | 3191.28 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108718 | CIF | C6 H5 N7 O0.5 | I 41/a :2 | 28.275; 28.275; 4.1124 90; 90; 90 | 3287.8 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108719 | CIF | C6 H5 N7 O0.6 | I 41/a :2 | 28.18; 28.18; 4.0701 90; 90; 90 | 3232.1 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108720 | CIF | C6 H5 N7 O0.5 | I 41/a :2 | 27.972; 27.972; 3.9991 90; 90; 90 | 3129 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2109072 | CIF HKL | Hf O3 Pb | I m m a | 5.8522; 8.236; 5.867 90; 90; 90 | 282.8 | Bosak, Alexei; Svitlyk, Volodymyr; Arakcheeva, Alla; Burkovsky, Roman; Diadkin, Vadim; Roleder, Krystian; Chernyshov, Dmitry Incommensurate crystal structure of PbHfO~3~ Acta Crystallographica Section B, 2020, 76, 7-12 |
2108691 | CIF HKL | B Bi4 I O7 | I m m m | 3.959; 13.453; 3.969 90; 90; 90 | 211.39 | Volkov, Sergey; Bubnova, Rimma; Krzhizhanovskaya, Maria; Galafutnik, Lydia The first bismuth borate oxyiodide, Bi~4~BO~7~I: commensurate or incommensurate? Acta Crystallographica Section B, 2020, 76 |
2022016 | CIF | C9 H14 N2 O2 S | P -1 | 7.2934; 7.8145; 10.2181 87.055; 70.569; 72.898 | 524.22 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022050 | CIF | C8 H8 N2 O2 | P -1 | 5.7913; 8.2458; 8.9223 116.823; 104.589; 91.602 | 362.99 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022063 | CIF | C17 H30 F N3 O9 | P -1 | 9.507; 9.9649; 11.0233 94.182; 100.118; 91.432 | 1024.57 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022072 | CIF | C4 H4 N2 O S | P -1 | 4.2427; 5.9648; 10.5801 105.736; 94.912; 91.927 | 256.32 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108583 | CIF HKL Paper | C30 H44 N30 O32 V10 | P -1 | 11.3756; 11.5611; 14.0894 73.533; 67.176; 60.845 | 1481.18 | Sedghiniya, Sima; Soleimannejad, Janet; Jahani, Zohreh; Davoodi, Jamshid; Janczak, Jan Crystal engineering of an adenine‒decavanadate molecular device towards label-free chemical sensing and biological screening Acta Crystallographica Section B, 2020, 76 |
2108586 | CIF HKL | C10 H11 N O3 | P -1 | 7.8898; 8.5729; 14.2922 88.333; 89.646; 73.099 | 924.56 | Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals Acta Crystallographica Section B, 2020, 76 |
2108591 | CIF HKL | C28 H50 Cu N6 O7 | P -1 | 10.946; 12.502; 13.029 70.34; 79.99; 73.06 | 1600.5 | Shin, Jong Won; Jeong, Ah Rim; Kim, Younghak; Kim, Dae-Woong; Lee, Sang-Geul; Lee, Hyosun; Moon, Dohyun Solvent-triggered single-crystal-to-single-crystal transformation from a monomeric to polymeric copper(II) complex based on an aza macrocyclic ligand Acta Crystallographica Section B, 2020, 76 |
2108593 | CIF HKL | C60 H80 O46 | P -1 | 10.2989; 14.3586; 14.5679 115.521; 103.49; 100.116 | 1794.4 | Balakrishnan, C.; Manonmani, M.; Rafi Ahamed, S.; Vinitha, G.; Meenakshisundaram, S. P.; Sockalingam, R. M. Supramolecular cocrystals of O—H···O hydrogen-bonded 18-crown-6 with isophthalic acid derivatives: Hirshfeld surface analysis and third-order nonlinear optical properties Acta Crystallographica Section B, 2020, 76 |
2108594 | CIF HKL | C30 H40 O20 | P -1 | 7.5073; 8.0208; 14.723 77.133; 79.494; 84.408 | 848.29 | Balakrishnan, C.; Manonmani, M.; Rafi Ahamed, S.; Vinitha, G.; Meenakshisundaram, S. P.; Sockalingam, R. M. Supramolecular cocrystals of O—H···O hydrogen-bonded 18-crown-6 with isophthalic acid derivatives: Hirshfeld surface analysis and third-order nonlinear optical properties Acta Crystallographica Section B, 2020, 76 |
2108597 | CIF HKL | C20 H16 N8 O10 | P -1 | 22.183; 12.546; 5.3092 51.074; 92.16; 97.31 | 1138.5 | Dudek, Marta K.; Paluch, Piotr; Pindelska, Edyta Crystal structures of two furazidin polymorphs revealed by a joint effort of crystal structure prediction and NMR crystallography Acta Crystallographica Section B, 2020, 76 |
2108598 | CIF HKL | C21 H14 N2 O2 | P -1 | 3.82563; 6.50848; 15.2148 89.522; 91.9447; 101.226 | 371.37 | Schlesinger, Carina; Hammer, Sonja M.; Gorelik, Tatiana E.; Schmidt, Martin U. Orientational disorder of monomethyl-quinacridone investigated by Rietveld refinement, structure refinement to the pair distribution function and lattice-energy minimizations Acta Crystallographica Section B, 2020, 76 |
2108601 | CIF HKL | C36 H50 Si2 | P -1 | 8.602; 10.085; 11.209 115.07; 102.61; 98.82 | 825.6 | Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds Acta Crystallographica Section B, 2020, 76 |
2108608 | CIF HKL | C28 H38 O6 | P -1 | 8.554; 8.6844; 9.81 100.26; 109.1; 100.53 | 654.5 | Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D. Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle Acta Crystallographica Section B, 2020, 76 |
2108620 | CIF HKL | C13 H20 N2 O4 | P -1 | 8.2881; 9.5302; 10.6708 113.46; 105.99; 99.162 | 707.87 | Li, Zihan; Yang, Pengpeng; Liu, Haodong; Liu, Jun; Zhu, Sha; Li, Xiaojie; Zhuang, Wei; Wu, Jinglan; Ying, Hanjie Crystal forms and phase transformation of 1,5-pentanediamine-terephthalate: a bio-based nylon 5T monomer Acta Crystallographica Section B, 2020, 76 |
2108621 | CIF HKL | C26 H31.34 N6 Ni2 O16.67 | P -1 | 10.1294; 12.2011; 14.243 82.035; 74.232; 79.373 | 1657.7 | Chahkandi, Mohammad; Keivanloo Shahrestanaki, Abolfazl; Mirzaei, Masoud; Nawaz Tahir, Muhammad; Mague, Joel T. Crystal and molecular structure of [Ni{2-H~2~NC(=O)C~5~H~4~N}~2~(H~2~O)~2~][Ni{2,6-(O~2~C)~2~C~5~H~3~N}~2~]·4.67H~2~O; DFT studies on hydrogen bonding energies in the crystal Acta Crystallographica Section B, 2020, 76 |
2108623 | CIF HKL | C23 H16 Ag2 N3 S16 | P -1 | 15.0062; 8.582; 13.3243 89.984; 91.447; 90.002 | 1715.4 | Foury-Leylekian, Pascale; Ilakovac, Vita; Fertey, Pierre; Baledent, Victor; Milat, Ognjen; Miyagawa, Kazuya; Kanoda, Kazushi; Hiramatsu, Takaaki; Yoshida, Yukihiro; Saito, Gunzi; Alemany, Pere; Canadell, Enric; Tomic, Silvia; Pouget, Jean-Paul New insights into the structural properties of κ-(BEDT-TTF)~2~Ag~2~(CN)~3~ spin liquid Acta Crystallographica Section B, 2020, 76 |
2108624 | CIF HKL | C23 H16 Ag2 N3 S16 | P -1 | 15.0831; 8.6447; 13.4755 90.012; 91.364; 89.998 | 1756.56 | Foury-Leylekian, Pascale; Ilakovac, Vita; Fertey, Pierre; Baledent, Victor; Milat, Ognjen; Miyagawa, Kazuya; Kanoda, Kazushi; Hiramatsu, Takaaki; Yoshida, Yukihiro; Saito, Gunzi; Alemany, Pere; Canadell, Enric; Tomic, Silvia; Pouget, Jean-Paul New insights into the structural properties of κ-(BEDT-TTF)~2~Ag~2~(CN)~3~ spin liquid Acta Crystallographica Section B, 2020, 76 |
2108641 | CIF | C22 H17 F4 N O | P -1 | 11.137; 11.8983; 15.127 73.675; 71.73; 72.936 | 1779.74 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108642 | CIF HKL | C22 H17 F4 N O | P -1 | 10.6975; 13.2186; 13.6339 68.667; 80.428; 81.09 | 1761.4 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108660 | CIF HKL | C15 H18 N2 O4 | P -1 | 7.119; 7.2678; 15.0171 78.012; 82.182; 66.007 | 693.2 | Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G. Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions Acta Crystallographica Section B, 2020, 76 |
2108662 | CIF HKL | C15 H18 N2 O4 | P -1 | 13.1277; 13.977; 17.802 80.629; 82.485; 62.419 | 2850.8 | Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G. Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions Acta Crystallographica Section B, 2020, 76 |
2108663 | CIF HKL | Cl10 H20 Li4 O11 Ru2 | P -1 | 8.0548; 10.7806; 13.7195 78.551; 80.825; 72.1629 | 1105.28 | Mudiyanselage, Ranuri S Dissanayaka; Marshall, Madalynn; Kong, Tai; Xie, Weiwei Li~4~Ru~2~OCl~10~·10H~2~O: crystal structure, magnetic properties and bonding interactions in ruthenium-oxo complexes Acta Crystallographica Section B, 2020, 76 |
2108683 | CIF HKL | C28 H20 N4 O11 Zn2 | P -1 | 10.07; 12.144; 14.172 104.63; 105.637; 109.156 | 1461.6 | Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties Acta Crystallographica Section B, 2020, 76 |
2108684 | CIF HKL | C26 H20 N2 O12 Zn2 | P -1 | 7.8759; 8.0318; 20.59 86.441; 88.986; 72.182 | 1237.6 | Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties Acta Crystallographica Section B, 2020, 76 |
2108685 | CIF HKL | C28 H14 Cd2 N2 O9 | P -1 | 11.2042; 11.2728; 11.7208 109.537; 97.561; 110.368 | 1255.34 | Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties Acta Crystallographica Section B, 2020, 76 |
2108686 | CIF HKL | C26 H18 N2 Ni2 O11 | P -1 | 9.2229; 12.2226; 13.073 112.261; 106.134; 97.765 | 1261.3 | Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties Acta Crystallographica Section B, 2020, 76 |
2108688 | CIF HKL | C48 H32 Co2 N4 O10 | P -1 | 12.068; 14.523; 14.662 68.654; 79.061; 75.13 | 2300 | Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties Acta Crystallographica Section B, 2020, 76 |
2108697 | CIF | Ca0.5 Fe La0.5 O3 | P -1 | 5.570218; 7.839117; 5.545738 90; 90; 90 | 242.158 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
2108699 | CIF | Ca0.5 Fe Nd0.5 O3 | P -1 | 5.56858; 7.757502; 5.451869 90; 90; 90 | 235.511 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
2108733 | CIF HKL | C23 H26 N4 O S | P -1 | 9.4054; 10.4228; 11.9607 96.683; 95.288; 104.474 | 1118.59 | Andrusenko, Iryna; Potticary, Jason; Hall, Simon R.; Gemmi, Mauro A new olanzapine cocrystal obtained from volatile deep eutectic solvents and determined by 3D electron diffraction Acta Crystallographica Section B, 2020, 76 |
2108734 | CIF | C23 H26 N4 O S | P -1 | 9.4051; 10.4236; 11.9619 96.686; 95.2878; 104.474 | 1118.74 | Andrusenko, Iryna; Potticary, Jason; Hall, Simon R.; Gemmi, Mauro A new olanzapine cocrystal obtained from volatile deep eutectic solvents and determined by 3D electron diffraction Acta Crystallographica Section B, 2020, 76 |
2022025 | CIF | C H4 N2 O | P -4 21 m | 5.578; 5.578; 4.686 90; 90; 90 | 145.8 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022027 | CIF | C6 H18 Cl2 N2 O4 | P 1 | 5.4491; 7.3962; 8.1337 79.382; 73.191; 69.544 | 292.75 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108696 | CIF | Ca0.12 Fe La0.88 O3 | P 1 | 7.860187; 7.839117; 7.860187 90; 89.7476; 90 | 484.316 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
2108698 | CIF | Ca0.12 Fe Nd0.88 O3 | P 1 | 7.793071; 7.757502; 7.793071 90; 88.7865; 90 | 471.023 | Lindenthal, Lorenz; Ruh, Thomas; Rameshan, Raffael; Summerer, Harald; Nenning, Andreas; Herzig, Christopher; Löffler, Stefan; Limbeck, Andreas; Opitz, Alexander Karl; Blaha, Peter; Rameshan, Christoph Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles Acta Crystallographica Section B, 2020, 76 |
2108679 | CIF | Cu Ge9 O24 Sr5 | P 1 2/c 1 | 11.8817; 8.19277; 10.3237 90; 101.597; 90 | 984.43 | Klein, Holger; Kodjikian, Stéphanie; Philippe, Rémy; Ding, Lei; Colin, Claire V.; Darie, Céline; Bordet, Pierre Three different Ge environments in a new Sr~5~CuGe~9~O~24~ phase synthesized at high pressure and high temperature Acta Crystallographica Section B, 2020, 76, 727-732 |
2022046 | CIF | C18 H28 N4 O5 | P 1 21 1 | 9.598; 8.939; 12.17 90; 108.75; 90 | 988.7 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022062 | CIF | C15 H26.269 N3 O7.634 | P 1 21 1 | 8.121; 9.299; 12.532 90; 91.21; 90 | 946.2 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022064 | CIF | C15 H29 N5 O6 | P 1 21 1 | 8.741; 9.42; 11.989 90; 95.49; 90 | 982.6 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022065 | CIF | C6 H16 Cl2 N2 O3 | P 1 21 1 | 8.6224; 7.0489; 9.8061 90; 106.486; 90 | 571.5 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022070 | CIF | C5 H13 Cl N2 O2 | P 1 21 1 | 9.948; 7.9637; 4.9826 90; 83.13; 90 | 391.902 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022071 | CIF | C8 H17 N3 O5 | P 1 21 1 | 10.207; 4.78; 11.955 90; 101.39; 90 | 571.8 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022082 | CIF | C17 H27 N3 O6 | P 1 21 1 | 8.845; 9.057; 12.364 90; 94.56; 90 | 987.3 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108609 | CIF HKL | C18 H18 O6 | P 1 21 1 | 11.304; 10.064; 14.496 90; 107.822; 90 | 1570 | Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D. Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle Acta Crystallographica Section B, 2020, 76 |
2108625 | CIF HKL | C22 H17 F4 N O | P 1 21 1 | 8.21; 6.33; 17.277 90; 102.41; 90 | 876.9 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108628 | CIF HKL | C22 H17 F4 N O | P 1 21 1 | 8.317; 6.0774; 17.513 90; 103.095; 90 | 862.2 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108674 | CIF HKL | C23 H26 F N3 O6 | P 1 21 1 | 6.49617; 7.41888; 23.587 90; 92.9418; 90 | 1135.26 | Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J. Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties Acta Crystallographica Section B, 2020, 76 |
2108678 | CIF HKL | C23 H28 F N3 O10 | P 1 21 1 | 16.78184; 15.47624; 19.5982 90; 105.758; 90 | 4898.74 | Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J. Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties Acta Crystallographica Section B, 2020, 76 |
2022015 | CIF | C3 H7 N O3 | P 1 21/a 1 | 10.7764; 9.1947; 4.7788 90; 106.87; 90 | 453.13 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022007 | CIF | C H3 O3 | P 1 21/c 1 | 6.092; 3.4919; 11.8481 90; 103.898; 90 | 244.66 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022008 | CIF | C2 H2 N4 O3 | P 1 21/c 1 | 9.3255; 5.4503; 9.04 90; 101.474; 90 | 450.29 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022009 | CIF | C33 H23 N O | P 1 21/c 1 | 11.1055; 11.6712; 18.0627 90; 102.675; 90 | 2284.13 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022019 | CIF | C H3 O3 | P 1 21/c 1 | 6.0954; 3.4948; 11.8499 90; 103.939; 90 | 244.996 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022020 | CIF | C8 H16 N2 O3 S | P 1 21/c 1 | 13.089; 5.329; 15.921 90; 108.57; 90 | 1052.7 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022022 | CIF | C H3 O3 | P 1 21/c 1 | 6.095; 3.4881; 11.8462 90; 103.842; 90 | 244.54 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022026 | CIF | C2 H5 N3 O S | P 1 21/c 1 | 7.2359; 7.3713; 9.4768 90; 98.403; 90 | 500.05 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022032 | CIF | C H3 O3 | P 1 21/c 1 | 6.0988; 3.4954; 11.8455 90; 103.927; 90 | 245.096 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022033 | CIF | C H3 O3 | P 1 21/c 1 | 6.0939; 3.4965; 11.8441 90; 103.951; 90 | 244.92 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022035 | CIF | C4 H7 N3 O2 | P 1 21/c 1 | 7.7161; 9.8337; 7.5131 90; 100.523; 90 | 560.49 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022041 | CIF | C H3 O3 | P 1 21/c 1 | 6.0937; 3.4929; 11.8533 90; 103.948; 90 | 244.85 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022048 | CIF | C10 H10 N4 O2 | P 1 21/c 1 | 11.0104; 10.0398; 18.604 90; 97.32; 90 | 2039.77 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022049 | CIF | C H3 O3 | P 1 21/c 1 | 6.0889; 3.487; 11.8299 90; 103.93; 90 | 243.786 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022054 | CIF | C H3 O3 | P 1 21/c 1 | 6.0931; 3.4921; 11.8409 90; 103.842; 90 | 244.63 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022055 | CIF | C H3 O3 | P 1 21/c 1 | 6.0903; 3.4959; 11.8348 90; 103.917; 90 | 244.579 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022060 | CIF | C H3 O3 | P 1 21/c 1 | 6.0988; 3.497; 11.8494 90; 103.922; 90 | 245.294 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022067 | CIF | C10 H10 N4 O2 | P 1 21/c 1 | 11.047; 10.129; 18.652 90; 97.223; 90 | 2070.5 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022068 | CIF | C H3 O3 | P 1 21/c 1 | 6.091; 3.4928; 11.8372 90; 103.901; 90 | 244.46 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022069 | CIF | C10 H10 N4 O2 | P 1 21/c 1 | 10.978; 10.006; 18.488 90; 97.223; 90 | 2014.7 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022075 | CIF | C10 H10 N4 O2 | P 1 21/c 1 | 11.0299; 10.0921; 18.6365 90; 97.238; 90 | 2057.99 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022076 | CIF | C7 H6 O3 | P 1 21/c 1 | 4.8818; 11.2009; 11.2335 90; 92.621; 90 | 613.61 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022077 | CIF | C H3 O3 | P 1 21/c 1 | 6.0893; 3.4965; 11.8311 90; 103.883; 90 | 244.54 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022080 | CIF | C13 H10 N2 O2 | P 1 21/c 1 | 13.659; 6.256; 12.862 90; 107; 90 | 1051 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108568 | CIF HKL | C11 H9 N O S | P 1 21/c 1 | 15.0288; 5.3086; 24.444 90; 99.133; 90 | 1925.47 | Sweeting, Stephen G.; Hall, Charlie L.; Potticary, Jason; Pridmore, Natalie E.; Warren, Stephen D.; Cremeens, Matthew E.; D'Ambruoso, Gemma D.; Matsumoto, Masaomi; Hall, Simon R. The solubility and stability of heterocyclic chalcones compared with <i>trans</i>-chalcone Acta Crystallographica Section B, 2020, 76 |
2108575 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 8.1928; 5.4539; 20.07 90; 91.47; 90 | 896 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
2108576 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 8.24; 5.4015; 19.519 90; 91.55; 90 | 868 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
2108577 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 6.305; 5.1839; 24.94 90; 96.25; 90 | 810 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
2108578 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 6.3679; 5.1671; 24.58 90; 96.25; 90 | 804 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
2108579 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 6.341; 5.1594; 24.52 90; 96.05; 90 | 798 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
2108580 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 8.171; 5.3995; 19.515 90; 92; 90 | 860.5 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
2108581 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 6.3608; 5.183; 24.75 90; 96.66; 90 | 810.5 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
2108582 | CIF HKL | C9 H11 N O2 | P 1 21/c 1 | 6.3399; 5.1789; 24.8 90; 96.58; 90 | 809 | Patyk-Kaźmierczak, Ewa; Kaźmierczak, Michał A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API) Acta Crystallographica Section B, 2020, 76 |
2108584 | CIF HKL | C8 H7 N O3 | P 1 21/c 1 | 8.7958; 7.5909; 10.8134 90; 104.722; 90 | 698.29 | Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals Acta Crystallographica Section B, 2020, 76 |
2108585 | CIF HKL | C10 H11 N O3 | P 1 21/c 1 | 8.74; 10.989; 9.736 90; 90.75; 90 | 935 | Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals Acta Crystallographica Section B, 2020, 76 |
2108588 | CIF HKL | C24 H14 Cu N6 O12 | P 1 21/c 1 | 11.2998; 25.77; 9.3086 90; 111.894; 90 | 2515.1 | Torres, Juan F.; Bello-Vieda, Nestor J.; Macías, Mario A.; Rabelo, Renato; Lloret, Francisco; Muñoz-Castro, Alvaro; Hurtado, John J. Intermolecular interaction energies and magnetic properties of spin-isolated multinuclear Cu^II^ complexes Acta Crystallographica Section B, 2020, 76 |
2108589 | CIF HKL | C52 H28 Cu2 N12 O24 | P 1 21/c 1 | 11.285; 26.65; 9.4293 90; 111.31; 90 | 2641.9 | Torres, Juan F.; Bello-Vieda, Nestor J.; Macías, Mario A.; Rabelo, Renato; Lloret, Francisco; Muñoz-Castro, Alvaro; Hurtado, John J. Intermolecular interaction energies and magnetic properties of spin-isolated multinuclear Cu^II^ complexes Acta Crystallographica Section B, 2020, 76 |
2108595 | CIF HKL Paper | C34 H44 Mg N6 O10 S2 | P 1 21/c 1 | 17.475; 8.051; 14.19 90; 109.91; 90 | 1877.1 | Abouhakim, Hanane; Nilsson Lill, Sten O.; Quayle, Michael J.; Norberg, Stefan T.; Hassanpour, Ali; Pask, Christopher M. The crystal structure, morphology and mechanical properties of diaquabis(omeprazolate)magnesium dihydrate Acta Crystallographica Section B, 2020, 76 |
2108596 | CIF | C10 H8 N4 O5 | P 1 21/c 1 | 11.67; 11.4666; 8.494 90; 106.848; 90 | 1087.8 | Dudek, Marta K.; Paluch, Piotr; Pindelska, Edyta Crystal structures of two furazidin polymorphs revealed by a joint effort of crystal structure prediction and NMR crystallography Acta Crystallographica Section B, 2020, 76 |
2108599 | CIF | C24 H22 F4 Si2 | P 1 21/c 1 | 6.7352; 14.8514; 23.3648 90; 94.735; 90 | 2329.1 | Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds Acta Crystallographica Section B, 2020, 76 |
2108600 | CIF HKL Paper | C24 H22 F4 Si2 | P 1 21/c 1 | 6.905; 14.948; 23.66 90; 94.82; 90 | 2433.5 | Moliterni, Anna; Altamura, Davide; Lassandro, Rocco; Olieric, Vincent; Ferri, Gianmarco; Cardarelli, Francesco; Camposeo, Andrea; Pisignano, Dario; Anthony, John E.; Giannini, Cinzia Synthesis, crystal structure, polymorphism and microscopic luminescence properties of anthracene derivative compounds Acta Crystallographica Section B, 2020, 76 |
2108602 | CIF HKL Paper | C21 H20 Cl N2 O3 Re | P 1 21/c 1 | 7.2923; 23.44; 12.75 90; 106.337; 90 | 2091.4 | Kia, Reza; Kalaghchi, Azadeh Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies Acta Crystallographica Section B, 2020, 76 |
2108603 | CIF HKL | C23 H24.4 Cl N2 O3 Re | P 1 21/c 1 | 8.2294; 36.355; 8.1035 90; 105.614; 90 | 2334.9 | Kia, Reza; Kalaghchi, Azadeh Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies Acta Crystallographica Section B, 2020, 76 |
2108604 | CIF HKL | C25 H28 Cl N2 O3 Re | P 1 21/c 1 | 9.998; 30.878; 8.209 90; 98.497; 90 | 2506.5 | Kia, Reza; Kalaghchi, Azadeh Intra- and intermolecular interactions in a series of chlorido-tricarbonyl-diazabutadienerhenium(I) complexes: structural and theoretical studies Acta Crystallographica Section B, 2020, 76 |
2108606 | CIF HKL | C52 H32 N8 O8 S2 Zn2 | P 1 21/c 1 | 7.8461; 20.359; 29.189 90; 94.612; 90 | 4647.5 | Shi, Zhi-Qiang; Ji, Ning-Ning; Hu, Hai-Liang A new Zn^II^ metallocryptand with unprecedented diflexure helix induced by V-shaped diimidazole building blocks Acta Crystallographica Section B, 2020, 76 |
2108607 | CIF HKL | C36 H58 O4 | P 1 21/c 1 | 22.486; 8.8585; 8.3874 90; 96.221; 90 | 1660.9 | Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D. Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle Acta Crystallographica Section B, 2020, 76 |
2108610 | CIF HKL | C16 H18 O4 | P 1 21/c 1 | 13.1; 7.6709; 15.2881 90; 110.181; 90 | 1441.97 | Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D. Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle Acta Crystallographica Section B, 2020, 76 |
2108614 | CIF HKL | Al Cu K O8 P2 | P 1 21/c 1 | 5.027; 14.047; 9.263 90; 102.29; 90 | 639.11 | Yakubovich, Olga; Kiriukhina, Galina; Shvanskaya, Larisa; Volkov, Anatoliy; Dimitrova, Olga Joint crystallization of KCuAl[PO~4~]~2~ and K(Al,Zn)~2~[(P,Si)O~4~]~2~: crystal chemistry and mechanism of formation of phosphate-silicate epitaxial heterostructure Acta Crystallographica Section B, 2020, 76 |
2108619 | CIF HKL | C13 H22 N2 O5 | P 1 21/c 1 | 9.8441; 10.8561; 13.5205 90; 96.728; 90 | 1435 | Li, Zihan; Yang, Pengpeng; Liu, Haodong; Liu, Jun; Zhu, Sha; Li, Xiaojie; Zhuang, Wei; Wu, Jinglan; Ying, Hanjie Crystal forms and phase transformation of 1,5-pentanediamine-terephthalate: a bio-based nylon 5T monomer Acta Crystallographica Section B, 2020, 76 |
2108626 | CIF HKL | C22 H17 F4 N O | P 1 21/c 1 | 9.705; 13.476; 13.843 90; 101.159; 90 | 1776.2 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108627 | CIF HKL | C22 H17 F4 N O | P 1 21/c 1 | 9.642; 13.292; 13.931 90; 99.89; 90 | 1758.9 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108629 | CIF HKL | C22 H17 F4 N O | P 1 21/c 1 | 13.366; 11.6008; 30.052 90; 130.787; 90 | 3528.1 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108633 | CIF HKL | C22 H17 F4 N O | P 1 21/c 1 | 9.445; 21.293; 9.59 90; 112.96; 90 | 1775.9 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108636 | CIF | C22 H17 F4 N O | P 1 21/c 1 | 18.194; 6.147; 16.182 90; 104.903; 90 | 1748.9 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108639 | CIF HKL | C22 H17 F4 N O | P 1 21/c 1 | 12.287; 11.3169; 22.191 90; 145.954; 90 | 1727.5 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108640 | CIF HKL | C22 H17 F4 N O | P 1 21/c 1 | 12.947; 10.4113; 22.59 90; 145.306; 90 | 1733.2 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108643 | CIF HKL | C22 H17 F4 N O | P 1 21/c 1 | 11.322; 12.437; 20.012 90; 140.922; 90 | 1776.4 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108650 | CIF | C2 D10 O3 S | P 1 21/c 1 | 6.30238; 9.05654; 11.22025 90; 105.969; 90 | 615.714 | Fortes, A. D.; Ponsonby, J.; Kirichek, O.; García-Sakai, V. On the crystal structures and phase transitions of hydrates in the binary dimethyl sulfoxide‒water system Acta Crystallographica Section B, 2020, 76 |
2108651 | CIF | C2 D12 O4 S | P 1 21/c 1 | 10.266194; 7.01113; 10.068968 90; 101.503; 90 | 710.183 | Fortes, A. D.; Ponsonby, J.; Kirichek, O.; García-Sakai, V. On the crystal structures and phase transitions of hydrates in the binary dimethyl sulfoxide‒water system Acta Crystallographica Section B, 2020, 76 |
2108659 | CIF HKL | C15 H18 N2 O4 | P 1 21/c 1 | 7.3324; 29.277; 7.4171 90; 117.402; 90 | 1413.6 | Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G. Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions Acta Crystallographica Section B, 2020, 76 |
2108661 | CIF HKL | C15 H18 N2 O4 | P 1 21/c 1 | 7.3901; 25.1748; 8.0438 90; 108.992; 90 | 1415.04 | Mali, Bhupendra P.; Dash, Soumya Ranjan; Nikam, Shrikant B.; Puthuvakkal, Anisha; Vanka, Kumar; Manoj, Kochunnoonny; Gonnade, Rajesh G. Five concomitant polymorphs of a green fluorescent protein chromophore (GFPc) analogue: understanding variations in photoluminescence with π-stacking interactions Acta Crystallographica Section B, 2020, 76 |
2108687 | CIF HKL | C128 H85 Co4 N12 O18 | P 1 21/c 1 | 31.055; 23.792; 16.54 90; 94.255; 90 | 12187 | Zhang, Xiaoyu; Yang, Qinglin; Yun, Meng; Si, Changdai; An, Ning; Jia, Meimei; Liu, Jiacheng; Dong, Xiuyan Seven new metal‒organic frameworks assembled from semi-rigid polycarboxylate and auxiliary N-donor ligands: syntheses, structures and properties Acta Crystallographica Section B, 2020, 76 |
2108703 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 8.1016; 18.473; 9.04 90; 95.91; 90 | 1346 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108704 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 8.089; 18.4614; 9.074 90; 96.08; 90 | 1347.4 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108705 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 8.053; 18.47; 9.044 90; 95.4; 90 | 1339 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108706 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 7.982; 18.318; 8.964 90; 95.08; 90 | 1305.5 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108707 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 7.965; 18.251; 8.929 90; 94.85; 90 | 1293.4 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108708 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 7.918; 18.223; 8.897 90; 94.6; 90 | 1280 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108709 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 7.897; 18.1579; 8.874 90; 94.54; 90 | 1268.5 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108710 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 7.8356; 18.074; 8.88 90; 94.24; 90 | 1254 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108711 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 7.84; 18.094; 8.82 90; 94.13; 90 | 1248 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108712 | CIF HKL | C5 H3 N7 | P 1 21/c 1 | 7.7755; 18.017; 8.75 90; 93.53; 90 | 1223 | Olejniczak, Anna; Katrusiak, Anna; Podsiadło, Marcin; Katrusiak, Andrzej Crystal design by CH···N and N···N interactions: high-pressure structures of high-nitrogen-content azido-triazolopyridazines compounds Acta Crystallographica Section B, 2020, 76 |
2108732 | CIF HKL | C10 H11 N O3 | P 1 21/c 1 | 9.59; 8.67; 23.811 90; 94.364; 90 | 1974 | Guillén, Marilia; Mora, Asiloé J.; Belandria, Lusbely M.; Seijas, Luis E.; Ramírez, Jeans W.; Burgos, José L.; Rincón, Luis; Delgado, Gerzon E. Two conformational polymorphs of 4-methylhippuric acid Acta Crystallographica Section B, 2020, 76 |
2022038 | CIF | C16 H17 N O2 | P 1 21/n 1 | 8.5755; 10.1627; 14.2676 90; 95.249; 90 | 1238.21 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022052 | CIF | C6 H6 N12 O12 | P 1 21/n 1 | 8.789; 12.474; 13.279 90; 106.578; 90 | 1395.3 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022058 | CIF | C5 H11 N4 O4 P | P 1 21/n 1 | 5.8389; 19.3579; 8.0338 90; 97.203; 90 | 900.88 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022079 | CIF | C2 H4 N4 O4 | P 1 21/n 1 | 6.922; 6.501; 11.262 90; 90.485; 90 | 506.77 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2108566 | CIF HKL | C7 H7.75 N Na O4.875 S | P 1 21/n 1 | 18.6212; 28.4622; 29.1642 90; 93.4511; 90 | 15429 | Rekis, Toms; Schönleber, Andreas; van Smaalen, Sander On the puzzling case of sodium saccharinate 1.875-hydrate: structure description in (3+1)-dimensional superspace Acta Crystallographica Section B, 2020, 76 |
2108587 | CIF HKL | C9 H9 N O4 | P 1 21/n 1 | 11.6065; 7.3059; 20.0511 90; 99.977; 90 | 1674.54 | Malinska, Maura; Kieliszek, Aleksandra; Kozioł, Anna E.; Mirosław, Barbara; Woźniak, Krzysztof Interplay between packing, dimer interaction energy and morphology in a series of tricyclic imide crystals Acta Crystallographica Section B, 2020, 76 |
2108611 | CIF | C9 H13 N O2 S2 | P 1 21/n 1 | 9.8106; 10.5345; 10.4312 90; 91.787; 90 | 1077.54 | Vénosová, Barbora; Koziskova, Julia; Kožíšek, Jozef; Herich, Peter; Lušpai, Karol; Petricek, Vaclav; Hartung, Jens; Müller, Mike; Hübschle, Christian B.; van Smaalen, Sander; Bucinsky, Lukas Charge density of 4-methyl-3-[(tetrahydro-2<i>H</i>-pyran-2-yl)oxy]thiazole-2(3<i>H</i>)-thione. A comprehensive multipole refinement, maximum entropy method and density functional theory study Acta Crystallographica Section B, 2020, 76 |
2108635 | CIF HKL | C22 H17 F4 N O | P 1 c 1 | 17.468; 6.2025; 16.338 90; 92.208; 90 | 1768.8 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108637 | CIF HKL | C22 H17 F4 N O | P 1 n 1 | 7.6714; 7.1287; 16.428 90; 100.298; 90 | 883.9 | Singla, Labhini; Yadav, Hare Ram; Roy Choudhury, Angshuman Evaluation of fluorine-mediated intermolecular interactions in tetrafluorinated tetrahydroisoquinoline derivatives: synthesis and computational studies Acta Crystallographica Section B, 2020, 76 |
2108677 | CIF HKL | C46 H54.5 F2 N6 O17.25 | P 21 21 2 | 30.3989; 16.1024; 9.66944 90; 90; 90 | 4733.14 | Khalaji, Mehrnaz; Wróblewska, Aneta; Wielgus, Ewelina; Bujacz, Grzegorz D.; Dudek, Marta K.; Potrzebowski, Marek J. Structural variety of heterosynthons in linezolid cocrystals with modified thermal properties Acta Crystallographica Section B, 2020, 76 |
2108680 | CIF HKL Paper | C12 H13 N O8 | P 21 21 2 | 29.1612; 9.207; 4.7387 90; 90; 90 | 1272.28 | Evtushenko, Diana N.; Arkhipov, Sergey G.; Fateev, Alexander V.; Izaak, Tatyana I.; Egorova, Lidia A.; Skorik, Nina A.; Vodyankina, Olga V.; Boldyreva, Elena V. A cocrystal of <small>L</small>-ascorbic acid with picolinic acid: the role of O—H···O, N—H···O and C—H···O hydrogen bonds and <small>L</small>-ascorbic acid conformation in structure stabilization Acta Crystallographica Section B, 2020, 76 |
2108681 | CIF HKL | C12 H13 N O8 | P 21 21 2 | 29.0583; 9.15479; 4.70223 90; 90; 90 | 1250.9 | Evtushenko, Diana N.; Arkhipov, Sergey G.; Fateev, Alexander V.; Izaak, Tatyana I.; Egorova, Lidia A.; Skorik, Nina A.; Vodyankina, Olga V.; Boldyreva, Elena V. A cocrystal of <small>L</small>-ascorbic acid with picolinic acid: the role of O—H···O, N—H···O and C—H···O hydrogen bonds and <small>L</small>-ascorbic acid conformation in structure stabilization Acta Crystallographica Section B, 2020, 76 |
2022010 | CIF | C6 H14 N2 O7 | P 21 21 21 | 9.659; 9.672; 10.739 90; 90; 90 | 1003.26 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022011 | CIF | C7 H13 N O5 | P 21 21 21 | 9.902; 9.248; 10.166 90; 90; 90 | 930.9 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022012 | CIF | C41 H77.768 N2 O15.884 | P 21 21 21 | 11.624; 16.748; 24.018 90; 90; 90 | 4675.8 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022013 | CIF | C12 H14 N2 O4 | P 21 21 21 | 5.2951; 8.1213; 27.256 90; 90; 90 | 1172.09 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022018 | CIF | C3 H7 N O2 | P 21 21 21 | 5.789; 5.9387; 12.2516 90; 90; 90 | 421.2 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022021 | CIF | C7 H13 N O5 | P 21 21 21 | 9.866; 9.25; 10.149 90; 90; 90 | 926.2 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022023 | CIF | C13 H19 N3 O6 | P 21 21 21 | 7.984; 9.535; 18.352 90; 90; 90 | 1397.1 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022028 | CIF | C7 H13 N O5 | P 21 21 21 | 9.853; 9.251; 10.145 90; 90; 90 | 924.7 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022029 | CIF | C7 H13 N O5 | P 21 21 21 | 9.884; 9.253; 10.155 90; 90; 90 | 928.7 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022030 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.4541; 9.4918; 9.7287 90; 90; 90 | 688.3 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022031 | CIF | C17 H21 N O4 | P 21 21 21 | 7.431; 13.769; 14.944 90; 90; 90 | 1529 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022034 | CIF | C3 H7 N O2 | P 21 21 21 | 6.6558; 7.8903; 8.6069 90; 90; 90 | 452.002 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022036 | CIF | C22 H36 N6 O7 | P 21 21 21 | 10.128; 12.486; 19.507 90; 90; 90 | 2466.8 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022037 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.4587; 9.4928; 9.725 90; 90; 90 | 688.57 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022040 | CIF | C11 H21 N3 O5 | P 21 21 21 | 6.825; 9.042; 21.728 90; 90; 90 | 1340.9 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022042 | CIF | C4 H9 N O3 | P 21 21 21 | 9.1735; 11.4736; 5.4171 90; 90; 90 | 570.166 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022043 | CIF | C7 H13 N O5 | P 21 21 21 | 9.854; 9.249; 10.144 90; 90; 90 | 924.52 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022044 | CIF | C5 H12 O5 | P 21 21 21 | 8.264; 8.901; 8.9223 90; 90; 90 | 656.3 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022045 | CIF | C13 H19 N O5 | P 21 21 21 | 7.235; 13.056; 14.415 90; 90; 90 | 1361.6 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022051 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.4871; 9.4966; 9.7078 90; 90; 90 | 690.2 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022056 | CIF | C19 H14 N2 O2 | P 21 21 21 | 7.875; 9.892; 18.843 90; 90; 90 | 1467.9 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
2022059 | CIF | C5 H10 N2 O3 | P 21 21 21 | 7.4583; 9.4892; 9.7301 90; 90; 90 | 688.6 | Jha, Kunal Kumar; Gruza, Barbara; Kumar, Prashant; Chodkiewicz, Michal Leszek; Dominiak, Paulina Maria TAAM: a reliable and user friendly tool for hydrogen-atom location using routine X-ray diffraction data Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2020, 76 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!