Crystallography Open Database

Search results

Result: there are 39 entries in the selection

Switch to the old layout of the page

Download 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 A Foundations and Advances' volume of publication is 70

COD ID	Links	Formula	Space group	Cell parameters	Cell volume	Bibliography
2310136	CIF	C7 H13 N O5	P 21 21 21	9.9748; 9.2492; 10.2103 90; 90; 90	941.99	Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model Acta Crystallographica Section A, 2014, 70, 309-316
2310137	CIF	C7 H13 N O5	P 21 21 21	10.0123; 9.2556; 10.2441 90; 90; 90	949.32	Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model Acta Crystallographica Section A, 2014, 70, 309-316
2310138	CIF	C7 H13 N O5	P 21 21 21	9.854; 9.249; 10.144 90; 90; 90	924.5	Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model Acta Crystallographica Section A, 2014, 70, 309-316
2310139	CIF	C7 H13 N O5	P 21 21 21	9.9408; 9.2479; 10.1875 90; 90; 90	936.55	Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model Acta Crystallographica Section A, 2014, 70, 309-316
2310140	CIF	C7 H13 N O5	P 21 21 21	9.9748; 9.2492; 10.2103 90; 90; 90	941.99	Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model Acta Crystallographica Section A, 2014, 70, 309-316
2310141	CIF	C7 H13 N O5	P 21 21 21	10.0123; 9.2556; 10.2441 90; 90; 90	949.32	Lübben, Jens; Volkmann, Christian; Grabowsky, Simon; Edwards, Alison; Morgenroth, Wolfgang; Fabbiani, Francesca P. A.; Sheldrick, George M.; Dittrich, Birger On the temperature dependence of H-<i>U</i>~iso~ in the riding hydrogen model Acta Crystallographica Section A, 2014, 70, 309-316
2310143	CIF HKL Paper	C13 H15 N O6	P 1 21 1	10.905; 5.2338; 11.439 90; 101.36; 90	640.1	Woińska, Magdalena; Jayatilaka, Dylan; Spackman, Mark A.; Edwards, Alison J.; Dominiak, Paulina M.; Woźniak, Krzysztof; Nishibori, Eiji; Sugimoto, Kunihisa; Grabowsky, Simon Hirshfeld atom refinement for modelling strong hydrogen bonds Acta Crystallographica Section A, 2014, 70, 483-498
2310144	CIF HKL Paper	C13 H15 N O6	P 1 21 1	10.905; 5.2338; 11.439 90; 101.36; 90	640.1	Woińska, Magdalena; Jayatilaka, Dylan; Spackman, Mark A.; Edwards, Alison J.; Dominiak, Paulina M.; Woźniak, Krzysztof; Nishibori, Eiji; Sugimoto, Kunihisa; Grabowsky, Simon Hirshfeld atom refinement for modelling strong hydrogen bonds Acta Crystallographica Section A, 2014, 70, 483-498
2310146	CIF Paper	C4 H8 N2 O3	P 1 21/c 1	7.9798; 9.5201; 7.7643 90; 106.151; 90	566.562	Dos Santos, Leonardo H. R.; Genoni, Alessandro; Macchi, Piero Unconstrained and X-ray constrained extremely localized molecular orbitals: analysis of the reconstructed electron density Acta Crystallographica Section A, 2014, 70, 532-551
2312005	CIF Paper	C42 H28	C m c e	26.7972; 7.1617; 14.194 90; 90; 90	2724.02	Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances, 2014, 70, 679
2312006	CIF Paper	C42 H28	C m c e	26.8106; 7.1602; 14.2029 90; 90; 90	2726.52	Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances, 2014, 70, 679
2312007	CIF Paper	C42 H28	C m c e	26.8106; 7.1602; 14.2029 90; 90; 90	2726.52	Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances, 2014, 70, 679
2312008	CIF Paper	C42 H28	C m c e	26.8106; 7.1602; 14.2029 90; 90; 90	2726.52	Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances, 2014, 70, 679
2312009	CIF Paper	C42 H28	C m c e	26.8106; 7.1602; 14.2029 90; 90; 90	2726.52	Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances, 2014, 70, 679
2312010	CIF Paper	C42 H28	C m c e (a-1/4,b-1/4,c)	26.8106; 7.1602; 14.2029 90; 90; 90	2726.52	Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances, 2014, 70, 679
2312011	CIF Paper	C23 H25 N11 O16	C 1 2/c 1	33.5759; 7.6607; 25.1114 90; 114.698; 90	5868.16	Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances, 2014, 70, 679
2312012	CIF Paper	C23 H25 N11 O16	C 1 2/c 1	33.5939; 7.6658; 25.1324 90; 114.716; 90	5879.28	Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances, 2014, 70, 679
2312014	CIF Paper	C23 H25 N11 O16	C 1 2/c 1	33.5939; 7.6658; 25.1324 90; 114.716; 90	5879.28	Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances, 2014, 70, 679
2312015	CIF Paper	C23 H25 N11 O16	C 1 2/c 1	33.5939; 7.6658; 25.1324 90; 114.716; 90	5879.28	Jørgensen, Mads R. V.; Hathwar, Venkatesha R.; Sist, Mattia; Wang, Xiaoping; Hoffmann, Christina M.; Briseno, Alejandro L.; Overgaard, Jacob; Iversen, Bo B. Accurate atomic displacement parameters from time-of-flight neutron-diffraction data at TOPAZ Acta Crystallographica Section A Foundations and Advances, 2014, 70, 679

Back to the search form
Your own data is not in the COD? Deposit it, thanks!