# data

nel: 4
sg: R 3 c :H
sgHall: R 3 -2\c
commonname: caffeine
formula: - C8 H10 N4 O2 -
calcformula: - C24 H30 N12 O6 -
acce_code: LC5020
journal: Acta Crystallographica Section B
issue: 3
firstpage: 329
lastpage: 334
radType: CuKα
flags: has coordinates
authors:
Derollez, Patrick; Correia, Natália T.; Danède, Florence; Capet, Frédéric; Affouard, Frédéric; Lefebvre, Jacques; Descamps, Marc

title:
<i>Ab initio</i> structure determination of the high-temperature phase of anhydrous caffeine by X-ray powder diffraction

text:
Derollez, Patrick; Correia, Natália T.; Danède, Florence; Capet, Frédéric; Affouard, Frédéric; Lefebvre, Jacques; Descamps, Marc\n<i>Ab initio</i> structure determination of the high-temperature phase of anhydrous caffeine by X-ray powder diffraction\nActa Crystallographica Section B\n61(3)\n(2005)\n329-334


nel: 3
sg: P 1 21 1
sgHall: P 2yb
formula: - C12 H22 O11 -
calcformula: - C12 H22 O11 -
authors: Luca Russo; Saulius Gražulis; Gintautas Bagdziunas
title: Structure of Sucrose
journal: Personal communication to COD
radType: MoKα
flags: has coordinates,has Fobs
date: 2013-11-19
time: 14:43:40
text:
Luca Russo; Saulius Gražulis; Gintautas Bagdziunas\nStructure of Sucrose\nPersonal communication to COD\n\n(2013)\n


