Crystallography Open Database

Information card for entry 7247242

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Coordinates	7247242.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H7 N3 O3
Calculated formula	C10 H7 N3 O3
Title of publication	Exploring the role of solvent polarity in mechanochemical Knoevenagel condensation: <i>in situ</i> investigation and isolation of reaction intermediates.
Authors of publication	Scheurrell, Kerstin; B Martins, Inês C; Murray, Claire; Emmerling, Franziska
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2023
Journal volume	25
Journal issue	35
Pages of publication	23637 - 23644
a	10.89048 ± 0.00015 Å
b	9.54267 ± 0.00014 Å
c	10.63046 ± 0.00015 Å
α	90°
β	115.645 ± 0.0004°
γ	90°
Cell volume	995.94 ± 0.02 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor R(I) for significantly intense reflections	0.0353
Goodness-of-fit parameter for all reflections	1.73243
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.8266 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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